SCHEMBL8023183

SCHEMBL8023183

COc1cc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
VDR P11473 1/20 0.54
TP53 P04637 4/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 8/20 0.50
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 3/20 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
SCHEMBL8024166 0.90 KDM4E (0.56) NPSR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8023171 0.87 TP53 (0.69) NPSR1TP53LMNAKDM4EHTT
SCHEMBL8021478 0.84 KDM4E (0.70) NPSR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8024159 0.84 KDM4E (0.59) NPSR1KMT2ATP53LMNAKDM4E
SCHEMBL8021343 0.84 ALDH1A1 (0.53) NPSR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8024179 0.83 KDM4E (0.58) NPSR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8021582 0.83 ALDH1A1 (0.67) NPSR1TP53LMNAKDM4EHTT
SCHEMBL8025359 0.82 KDM4E (0.62) NPSR1KMT2ATP53LMNAKDM4E
SCHEMBL8023335 0.81 KDM4E (0.56) NPSR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8010677 0.81 KDM4E (0.56) NPSR1MEN1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP disclosed