SCHEMBL7948847

SCHEMBL7948847

O[CH]CCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
ACP3 P15309 1/20 0.47
CYP2D6 P10635 1/20 0.46
NQO2 P16083 1/20 0.45
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL3047898 0.80 CYP1A2 (0.62) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL1611480 0.80 CYP1A2 (0.48) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL143458 0.80 MTNR1A (0.49) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL7700283 0.80 CYP1A2 (0.50) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8375777 0.80 CYP1A2 (0.50) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL29891134 0.80 CYP1A2 (0.48) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL5516425 0.80 CYP1A2 (0.48) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL31464249 0.79 MTNR1A (0.46) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL10049308 0.79 MTNR1A (0.45) MTNR1ATDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6411524 0.79 CYP1A2 (0.52) MTNR1ATDP1CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59216847-A None JP disclosed
JP-59163343-A None JP disclosed
CN-1092639-C Benzene-fused heterocyclic derivative and use thereof TORAY INDUSTRIES (JP) 2002-10-16 CN disclosed
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
CN-1148381-A Benzene-fused heterocyclic derivative and use thereof TORAY INDUSTRIES (JP) 1997-04-23 CN disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed
JP-S59216847-A POLYETHER DERIVATIVE USEFUL AS IONOPHORE AGENCY OF IND SCIENCE & TECHNOL 1984-12-06 JP disclosed
JP-S59163343-A POLYETHER DERIVATIVE USEFUL AS IONOPHORE AGENCY OF IND SCIENCE & TECHNOL 1984-09-14 JP disclosed