SCHEMBL8715453

SCHEMBL8715453

COC1CC(N(C)C)c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.56
AVPR2 P30518 3/20 0.56
AVPR1B P47901 2/20 0.56
ABCB11 O95342 1/20 0.56
HTR1A P08908 1/20 0.56
CHRM1 P11229 1/20 0.56
OXTR P30559 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56

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
SCHEMBL8713718 0.91 AVPR2 (0.51) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8712769 0.91 AVPR1A (0.55) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8712361 0.90 AVPR1A (0.70) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8713957 0.89 AVPR2 (0.51) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7344574 0.83 AVPR2 (0.81) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8715447 0.81 AVPR1A (0.53) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8717790 0.81 AVPR1A (0.67) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8712851 0.81 AVPR2 (0.53) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8717780 0.80 AVPR1A (0.54) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8718080 0.80 AVPR1A (0.73) AVPR1AAVPR2AVPR1BABCB11HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed