SCHEMBL8623490

SCHEMBL8623490

c1ccc(Nc2ccccc2NCC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
RECQL P46063 1/20 0.39
EPHX2 P34913 4/20 0.39
CXCR3 P49682 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FABP4 P15090 1/20 0.37
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL8616197 0.86 EPHX2 (0.36) KDM4EMAPTTDP1MEN1GAA
SCHEMBL8618469 0.77 EPHX2 (0.47) KDM4EMAPTTDP1MEN1GAA
Diphenylamine SCHEMBL29173772 0.72 HSD17B10 (0.67) KDM4EMAPTTDP1MEN1GAA
SCHEMBL30299156 0.70 MEN1 (0.45) MEN1GAAKMT2AEPHX2CXCR3
SCHEMBL19198139 0.70 MEN1 (0.45) MEN1GAAKMT2AEPHX2CXCR3
SCHEMBL444976 0.70 MAPT (0.70) KDM4EMAPTTDP1MEN1GAA
SCHEMBL23023204 0.68 CXCR3 (0.71) TDP1MEN1KMT2AEPHX2CXCR3
SCHEMBL11457982 0.68 CXCR3 (0.41) EPHX2CXCR3
SCHEMBL8620807 0.68 KDM4E (0.43) KDM4EMAPTTDP1MEN1GAA
SCHEMBL29734989 0.67 MAPT (0.50) KDM4EMAPTTDP1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 EP disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed