SCHEMBL7958387

SCHEMBL7958387

Oc1cccc2c1ccn2CCOCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
HTR6 P50406 4/20 0.39
APP P05067 1/20 0.36
PTPN7 P35236 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.35
BAD Q92934 1/20 0.35
LMNA P02545 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL7958451 0.92 HTR2C (0.49) HTR2CHTR6KLKB1KLK1MEN1
SCHEMBL7962718 0.82 HTR2C (0.49) HTR2CHTR6MEN1KMT2ASMN1; SMN2
SCHEMBL7960113 0.81 HTR2C (0.54) HTR2CHTR6KLKB1KLK1MCL1
SCHEMBL7958314 0.80 HTR2C (0.50) HTR2CHTR6MEN1KMT2ASMN1; SMN2
SCHEMBL7948387 0.79 MCL1 (0.55) HTR6PTPN7KDM4EALDH1A1MCL1
SCHEMBL2038502 0.77 HTR2C (0.63) HTR2CHTR6
SCHEMBL8616920 0.76 HTR6 (0.60) HTR2CHTR6APPMEN1KMT2A
SCHEMBL7960415 0.76 HTR2C (0.51) HTR2C
SCHEMBL7962451 0.74 HTR6 (0.47) HTR6KLKB1KLK1HRH3MAPT
SCHEMBL3245076 0.73 HTR2C (0.66) HTR2CHTR6

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