SCHEMBL7737089

SCHEMBL7737089

O=C(O)COc1cccc2c1CCCN2CCC(=O)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.43
HRH3 Q9Y5N1 2/20 0.40
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGDR Q13258 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PRMT5 O14744 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
SCHEMBL7737680 0.88 PTGIR (0.46) PTGIRHRH3PTGER1PTGER3PTGDR
SCHEMBL7737683 0.86 HRH3 (0.43) PTGIRHRH3PTGER1PTGER3PTGDR
SCHEMBL7737314 0.86 PTGIR (0.44) PTGIRHRH3PTGER1PTGER3PTGDR
SCHEMBL7730243 0.85 HRH3 (0.43) PTGIRHRH3PTGER1PTGER3PTGDR
SCHEMBL7736609 0.81 PTGIR (0.61) PTGIRPTGER1PTGER3PTGDRKDM4E
SCHEMBL7737082 0.77 HRH3 (0.46) PTGIRHRH3KDM4EMEN1KMT2A
SCHEMBL7737197 0.76 PTGIR (0.45) PTGIRHRH3ALDH1A1PKMPTGDR2
SCHEMBL7737231 0.76 PTGIR (0.56) PTGIRHRH3
SCHEMBL7736474 0.76 PPARD (0.44) PTGIRHRH3MEN1POLBMAPT
SCHEMBL7739657 0.75 HRH3 (0.45) PTGIRHRH3MEN1POLBMAPT

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