SCHEMBL7739673

SCHEMBL7739673

O=C(O)COc1cccc2c1CCCN2CCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.44
PTGIR P43119 11/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR6 P50406 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7737197 0.83 PTGIR (0.45) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737231 0.82 PTGIR (0.56) PTGIRHRH3
SCHEMBL7736514 0.82 PTGIR (0.46) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737108 0.81 PTGIR (0.57) GRM7PTGIRALDH1A1KDM4EHPGD
SCHEMBL7739665 0.81 PTGIR (0.41) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737153 0.81 PTGIR (0.47) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737206 0.80 PTGIR (0.48) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737097 0.80 PTGIR (0.41) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7737230 0.80 HRH3 (0.41) PTGIRPRMT5WDR77HRH3ALDH1A1
SCHEMBL7736464 0.79 PTGIR (0.46) PTGIRHRH3HDAC1HDAC6

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