SCHEMBL7963200

SCHEMBL7963200

[CH2]C(O)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.50
▸ HTR2A P28223 6/20 0.46
▸ LMNA P02545 2/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ SMPD1 P17405 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
SCHEMBL3290730 0.82 HRH1 (0.68) HRH1HTR2ALMNAMTNR1AMTNR1B
SCHEMBL10537483 0.80 HRH1 (0.54) HRH1HTR2ALMNAMTNR1AMTNR1B
SCHEMBL27321444 0.79 HRH1 (0.65) HRH1HTR2ALMNAMTNR1AMTNR1B
SCHEMBL844862 0.79 HRH1 (0.65) HRH1HTR2ALMNAMTNR1AMTNR1B
SCHEMBL2732016 0.79 HRH1 (0.65) HRH1HTR2ALMNAMTNR1AMTNR1B
SCHEMBL7958320 0.78 LMNA (0.44) HRH1HTR2ALMNATAAR1KDM4E
SCHEMBL10403569 0.76 HRH1 (0.56) HRH1HTR2ALMNATAAR1KDM4E
SCHEMBL27587669 0.76 HRH1 (0.50) HRH1HTR2ALMNAMTNR1AMTNR1B
SCHEMBL2638246 0.73 LMNA (0.56) HRH1HTR2ALMNAMTNR1AMTNR1B
SCHEMBL11866997 0.73 LMNA (0.47) HRH1HTR2ALMNAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 — — US 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
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