SCHEMBL8196577

SCHEMBL8196577

NC(Cc1c[nH]c2ccccc12)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
KDM4E B2RXH2 2/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 2/20 0.62
KMT2A Q03164 2/20 0.62
MPO P05164 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
HIF1A Q16665 1/20 0.62
TACR1 P25103 2/20 0.60
HTR2A P28223 2/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2C P28335 1/20 0.53
HTR1E P28566 1/20 0.53

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
SCHEMBL8196579 1.00 MAPT (0.62) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL17859729 0.85 MAPT (0.58) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL1981757 0.85 MAPT (0.68) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL8354794 0.84 KDM4E (0.50) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL8358740 0.84 KDM4E (0.50) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL27582874 0.84 MEN1 (0.61) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL23723484 0.84 MAPT (0.76) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL29472033 0.84 MAPT (0.76) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL8360534 0.84 ERAP2 (0.49) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL1401159 0.84 KDM4E (0.71) MAPTKDM4EMEN1LMNAKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP disclosed
US-5981755-A Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 1999-11-09 US disclosed
US-5856354-A RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS, VISION DEFECTS, ANTIALLERGENS,PAIN, NERVOUS SYSTEM DISORDERS, HEADACHES WARNER-LAMBERT COMPANY (US) 1999-01-05 US disclosed
US-5716979-A NONPEPTIDES, UNIQUE IN ALKYLATION/SUBSTITUTION PATTERN ALONG THEIR BACKBONE, USEFUL FOR TREATING DISORDERS SUCH AS RESPIRATORY, INFLAMMATORY, GASTROINTESTINAL, OPHTHALMIC, ALLERGIES, PAIN, VASCULAR, MIGRANE, ARTHRITIS AND BRAIN WARNER-LAMBERT COMPANY (US) 1998-02-10 US disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO disclosed