SCHEMBL7480439

SCHEMBL7480439

CCOC(=O)c1cccc2c1nc(CNC(=O)OC(C)(C)C)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
STING1 Q86WV6 1/20 0.42
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 2/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 6/20 0.38
TSHR P16473 1/20 0.38
ADORA1 P30542 1/20 0.37
KDM4A O75164 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7562859 0.87 STING1 (0.54) POLBMAPK1ATMKDM4EMAPT
SCHEMBL7422026 0.83 NPC1 (0.44) NPC1RAB9APOLBMAPK1ATM
SCHEMBL7479778 0.79 TSHR (0.46) NPC1RAB9AATMKDM4EADORA3
SCHEMBL17936393 0.76 HTT (0.41) NPC1RAB9APOLBMAPK1ATM
SCHEMBL28366489 0.76 MAPT (0.70) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL30466612 0.76 MAPT (0.70) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL7477457 0.76 TSHR (0.51) NPC1RAB9AATMKDM4EMAPT
SCHEMBL7480444 0.76 TSHR (0.36) NPC1RAB9AATMKDM4ESTING1
SCHEMBL4881757 0.75 STING1 (0.44) KDM4EMAPTLMNASTING1ADORA2A
SCHEMBL938487 0.73 STING1 (0.44) NPC1RAB9APOLBATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed