SCHEMBL7737697

SCHEMBL7737697

[CH](CCC=Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
IDO1 P14902 2/20 0.48
PAM P19021 1/20 0.48
MAOB P27338 2/20 0.46
HTR2A P28223 3/20 0.45
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL7737696 1.00 SIGMAR1 (0.48) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL7939387 0.90 IDO1 (0.56) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL10430031 0.90 IDO1 (0.56) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL7568412 0.90 IDO1 (0.56) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL7736535 0.80 IDO1 (0.52) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL7736539 0.80 IDO1 (0.52) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL3240089 0.80 IDO1 (0.52) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL3256288 0.79 SIGMAR1 (0.47) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL14867591 0.79 SIGMAR1 (0.47) SIGMAR1IDO1PAMMAOBHTR2A
SCHEMBL97315 0.79 PAM (0.52) SIGMAR1IDO1PAMMAOBHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed