SCHEMBL7012170

SCHEMBL7012170

CNC(=O)c1ccc(C=CC(=O)Nc2cccc(-c3ccc(C)c(CCl)c3C)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LTB4R Q15722 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
MMP1 P03956 5/20 0.43
MMP2 P08253 5/20 0.43
MMP9 P14780 5/20 0.43
BDKRB2 P30411 4/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
EGFR P00533 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL7012168 1.00 NPC1 (0.47) NPC1RAB9AKDM4ELTB4RALDH1A1
SCHEMBL7014316 0.92 NPC1 (0.48) NPC1RAB9AKDM4ELTB4RALDH1A1
SCHEMBL7014321 0.92 NPC1 (0.48) NPC1RAB9AKDM4ELTB4RALDH1A1
SCHEMBL7016627 0.81 BDKRB2 (0.45) NPC1RAB9AKDM4ELTB4RALDH1A1
SCHEMBL7016624 0.81 BDKRB2 (0.45) NPC1RAB9AKDM4ELTB4RALDH1A1
SCHEMBL7011353 0.80 BDKRB2 (0.70) BDKRB2
SCHEMBL7011358 0.80 BDKRB2 (0.70) BDKRB2
SCHEMBL7008869 0.76 SMN1; SMN2 (0.47) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL8015041 0.75 BDKRB2 (0.59) BDKRB2
SCHEMBL8015038 0.75 BDKRB2 (0.59) BDKRB2

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-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6127389-A TREATMENT OF HYPERTENSION, RENAL DISEASES, HEART FAILURE, HYPERTENSION, MENIERE'S DISEASE, PERIPHERAL AND CEREBRAL CIRCULATORY DISORDERS, CLIMACTERIC DISTURBANCE, RETINOCHOROIDAL CIRCULATORY DISORDERS, MYOCARDIAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-03 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed