SCHEMBL7016946

SCHEMBL7016946

CC(=O)Nc1cccc(-c2ccc(C)c(CO)c2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
BRD4 O60885 1/20 0.47
NQO2 P16083 2/20 0.47
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
USP7 Q93009 2/20 0.46
PIK3C3 Q8NEB9 1/20 0.45
NR4A1 P22736 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL7008869 0.88 SMN1; SMN2 (0.47) HSD17B10BRD4NQO2RAB9ASMN1; SMN2
SCHEMBL14003396 0.76 HSD17B10 (0.63) HSD17B10BRD4NQO2RAB9ASMN1; SMN2
SCHEMBL7014321 0.76 NPC1 (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL7014316 0.76 NPC1 (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL7016917 0.75 BDKRB2 (0.49) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6027622 0.75 PDCD1 (0.53) HSD17B10RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL11222535 0.73 PIK3C3 (0.55) HSD17B10BRD4NQO2RAB9ASMN1; SMN2
SCHEMBL28789074 0.73 NR1H4 (0.57) HSD17B10BRD4NQO2RAB9ASMN1; SMN2
SCHEMBL2961823 0.71 HSD17B10 (0.59) HSD17B10BRD4NQO2RAB9ASMN1; SMN2
SCHEMBL7188387 0.71 MAPT (0.57) HSD17B10NQO2RAB9ASMN1; SMN2NPC1

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 10 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-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed