SCHEMBL7012620

SCHEMBL7012620

CC(=O)Nc1c(C)ccn1-c1ccc(Cl)c(COS(C)(=O)=O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7008977 0.88 GAA (0.34) CYP1A2CYP3A4SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL7010424 0.83 NOTUM (0.44) CYP1A2CYP3A4PKMSMN1; SMN2ALDH1A1
SCHEMBL7005736 0.77 MEN1 (0.31)
SCHEMBL7012618 0.76 BDKRB2 (0.42) CYP1A2CYP3A4PKMSMN1; SMN2CYP2D6
SCHEMBL7014193 0.73 GABRA2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL7008368 0.70 NOTUM (0.41) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C9
SCHEMBL7007149 0.70 CYP1A2 (0.43) CYP1A2CYP3A4SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL7012421 0.70 GAA (0.41) CYP1A2ALDH1A1
SCHEMBL8719810 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7008980 0.69 BDKRB2 (0.40) CYP1A2CYP3A4SMN1; SMN2CYP2D6ALDH1A1

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