SCHEMBL7090474

SCHEMBL7090474

COc1ccccc1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
LMNA P02545 1/20 0.67
TACR1 P25103 2/20 0.53
KCNT1 Q5JUK3 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 5/20 0.51
CTSL P07711 2/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MEN1 O00255 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ACE P12821 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6307157 1.00 MAPT (0.67) MAPTLMNATACR1KCNT1L3MBTL1
SCHEMBL29867484 0.86 CTSL (0.53) MAPTLMNAKCNT1KMT2ACTSL
Water SCHEMBL27383247 0.85 MAPT (0.76) MAPTLMNATACR1KCNT1L3MBTL1
SCHEMBL29982992 0.83 CTSL (0.52) TACR1KCNT1CTSLCTSSCTSK
SCHEMBL28880633 0.82 KMT2A (0.60) MAPTL3MBTL1KMT2AMEN1ACE
SCHEMBL6299745 0.82 TACR1 (0.75) MAPTLMNATACR1CTSLGAA
SCHEMBL6306620 0.81 MAPT (0.64) MAPTLMNATACR1L3MBTL1KMT2A
SCHEMBL8690222 0.81 MAPT (0.64) MAPTLMNATACR1L3MBTL1KMT2A
SCHEMBL8530746 0.80 ACE (0.62) MAPTLMNAL3MBTL1KMT2AMEN1
SCHEMBL8556324 0.80 ACE (0.62) MAPTLMNAL3MBTL1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005454-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP disclosed
US-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 US disclosed
US-6339094-B1 FOR THERAPY OF CONDITION ASSOCIATED WITH AN EXCESS OF TACHYKININS SUCH AS MIGRANE HEADACHES ELI LILLY AND COMPANY 2002-01-15 US disclosed
EP-0693489-B1 Heterocyclic tachykinin receptor antagonist LILLY CO ELI (US) 2001-09-12 EP disclosed
CN-1067067-C Heterocyclic tachykinin receptor antagonists LILLY CO ELI (US) 2001-06-13 CN disclosed
EP-1003723-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2000-11-02 EP disclosed
CN-1265652-A 2-acylaminopropanamines as tachykinin receptor antagonists LILLY CO ELI (US) 2000-09-06 CN disclosed
EP-0912178-A4 METHODS OF TREATING HYPERTENSION LILLY CO ELI (US) 2000-08-16 EP disclosed
EP-0932406-A4 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS LILLY CO ELI (US) 2000-07-05 EP disclosed
EP-1005454-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-06-07 EP disclosed
WO-1996041633-A1 METHODS OF TREATING COLD AND ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1996-12-27 WO disclosed
EP-0747055-A2 Use of tachykinin receptors antagonists for the treatment of cold and allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
EP-0747049-A1 Use of tachykinin antagonists in combination with serotonin agonists or serotonin reuptake inhibitors for the manufacture of a medicament for the treatment of allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
WO-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
WO-1996024353-A1 METHODS OF TREATING OR PREVENTING PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed
US-5530009-A TREATING ASTHMA ELI LILLY AND COMPANY (US) 1996-06-25 US disclosed
EP-0710479-A1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1996-05-08 EP disclosed
WO-1996011000-A1 METHODS OF TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1996-04-18 WO disclosed
WO-1996001819-A1 HETEROCYCLIC TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-01-25 WO disclosed
EP-0693489-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-24 EP disclosed