SCHEMBL7737680

SCHEMBL7737680

O=C(O)COc1cccc2c1CCCN2CCN(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.46
HRH3 Q9Y5N1 2/20 0.43
PTGER1 P34995 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGDR Q13258 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL7737683 0.94 HRH3 (0.43) PTGIRHRH3PTGER1PTGER3PTGDR
SCHEMBL7730243 0.93 HRH3 (0.43) PTGIRHRH3PTGER1PTGER3PTGDR
SCHEMBL7737089 0.88 PTGIR (0.43) PTGIRHRH3PTGER1PTGER3PTGDR
SCHEMBL7737314 0.85 PTGIR (0.44) PTGIRHRH3PTGER1PTGER3PTGDR
SCHEMBL7737082 0.81 HRH3 (0.46) PTGIRHRH3ALDH1A1KDM4EHPGD
SCHEMBL7737336 0.80 PTGIR (0.70) PTGIRPTGER1PTGER3PTGDRALDH1A1
SCHEMBL7737197 0.80 PTGIR (0.45) PTGIRHRH3ALDH1A1PKMPRMT5
SCHEMBL7736474 0.79 PPARD (0.44) PTGIRHRH3ALDH1A1PKMPRMT5
SCHEMBL7737231 0.79 PTGIR (0.56) PTGIRHRH3
SCHEMBL7739673 0.78 GRM7 (0.44) PTGIRHRH3ALDH1A1PRMT5WDR77

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 2 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
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed