SCHEMBL7024978

SCHEMBL7024978

CCCc1nc2[c]cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL11719783 0.88 POLB (0.45) POLB
SCHEMBL7021216 0.86 DDAH1 (0.53) DDAH1POLBKDM4EADORA3ADORA2A
SCHEMBL7019566 0.79 TDP1 (0.40) DDAH1POLBKDM4ENPC1RAB9A
SCHEMBL7017120 0.79 CACNA1H (0.36) DDAH1POLBNPC1RAB9A
SCHEMBL908058 0.79 DDAH1 (0.33) DDAH1POLBKDM4ENPC1RAB9A
SCHEMBL7019229 0.79 BCHE (0.38) DDAH1POLBKDM4EKMT2AMAPT
SCHEMBL7017479 0.79 NPC1 (0.39) DDAH1KDM4ENPC1RAB9AKMT2A
SCHEMBL698519 0.75 GAA (0.58) KDM4ENPC1RAB9AKMT2AMAPT
SCHEMBL9598374 0.75 MEN1 (0.33) DDAH1POLBKDM4EKMT2AMAPT
SCHEMBL6197934 0.74 RAB9A (0.50) POLBNPC1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed