SCHEMBL8713957

SCHEMBL8713957

COC1CC(N(C)C)c2ccccc2N(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3Cl)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.51
AVPR1A P37288 4/20 0.51
ABCB11 O95342 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM1 P11229 1/20 0.51
OXTR P30559 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
AVPR1B P47901 1/20 0.51

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) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8715453 0.89 AVPR1A (0.56) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8712361 0.85 AVPR1A (0.70) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8712769 0.81 AVPR1A (0.55) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8712851 0.81 AVPR2 (0.53) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8717790 0.76 AVPR1A (0.67) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7352855 0.75 AVPR1A (0.58) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7347200 0.75 AVPR2 (0.73) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8718080 0.75 AVPR1A (0.73) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8715447 0.74 AVPR1A (0.53) AVPR2AVPR1AABCB11HTR1ACHRM1

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