SCHEMBL7737082

SCHEMBL7737082

O=C(O)COc1cccc2c1CCCCN2CCO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGIR P43119 7/20 0.41
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL7962770 0.91 MEN1 (0.43) HRH3MEN1KMT2ASMN1; SMN2PTGIR
SCHEMBL7736464 0.82 PTGIR (0.46) HRH3HDAC1HDAC6PTGIR
SCHEMBL7737680 0.81 PTGIR (0.46) HRH3HDAC1HDAC6PTGIRALDH1A1
SCHEMBL7730044 0.80 PTGIR (0.48) HRH3HDAC1HDAC6PTGIRALDH1A1
SCHEMBL7737197 0.80 PTGIR (0.45) HRH3PTGIRALDH1A1PTGDR2
SCHEMBL7737231 0.79 PTGIR (0.56) HRH3PTGIR
SCHEMBL7737314 0.79 PTGIR (0.44) HRH3MEN1KMT2APTGIRALDH1A1
SCHEMBL7737683 0.79 HRH3 (0.43) HRH3PTGIRALDH1A1
SCHEMBL7736474 0.79 PPARD (0.44) HRH3HDAC1HDAC6MEN1KMT2A
SCHEMBL7739657 0.78 HRH3 (0.45) HRH3HDAC1HDAC6MEN1KMT2A

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