SCHEMBL7005672

SCHEMBL7005672

CC(=O)Nc1scc(C)c1-c1ccc(C)c(CO)c1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.36
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 2/20 0.33
GAA P10253 1/20 0.33
PTK2 Q05397 1/20 0.33
TSHR P16473 1/20 0.32
MAPK8 P45983 6/20 0.32
MAPK9 P45984 6/20 0.32
MAPK10 P53779 6/20 0.32
PRKCZ Q05513 1/20 0.32

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
SCHEMBL7015718 0.76 MAPT (0.41) POLBMAPTTDP1L3MBTL1TP53
SCHEMBL20798335 0.70 ALDH1A1 (0.47) POLBMAPTTDP1ALDH1A1PKM
SCHEMBL7016946 0.68 HSD17B10 (0.48) POLBMAPTALDH1A1PKMGAA
SCHEMBL7005668 0.68 BDKRB2 (0.39) POLBALDH1A1NPSR1PKM
SCHEMBL10746499 0.62 MAPT (0.43) POLBMAPTTDP1L3MBTL1TP53
SCHEMBL6281787 0.62 ALDH1A1 (0.44) MAPTALDH1A1PKMGAATSHR
SCHEMBL6027622 0.62 PDCD1 (0.53) POLBMAPTALDH1A1PKM
SCHEMBL12533633 0.61 MAPT (0.54) POLBMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL9687520 0.61 ALDH1A1 (0.61) POLBALDH1A1GAATSHR
SCHEMBL19494292 0.61 MAPT (0.42) POLBMAPTTDP1L3MBTL1TP53

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