SCHEMBL8713819

SCHEMBL8713819

CNC1CCC(Cl)N(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
SMO Q99835 1/20 0.45
AVPR1A P37288 5/20 0.44
AVPR2 P30518 4/20 0.44
AVPR1B P47901 1/20 0.44

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
SCHEMBL8713805 0.90 AVPR2 (0.55) AVPR1AAVPR2AVPR1B
SCHEMBL8713384 0.90 HSD11B1 (0.48) HSD11B1SMOAVPR1AAVPR2AVPR1B
SCHEMBL8713499 0.87 AVPR2 (0.43) AVPR1AAVPR2AVPR1B
SCHEMBL8717630 0.86 AVPR1A (0.57) HSD11B1SMOAVPR1AAVPR2AVPR1B
Hydrochloric Acid SCHEMBL8719775 0.85 HSD11B1 (0.46) HSD11B1SMOAVPR1AAVPR2AVPR1B
SCHEMBL7346236 0.83 AVPR1A (0.63) HSD11B1AVPR1AAVPR2AVPR1B
SCHEMBL8716136 0.83 AVPR1A (0.47) HSD11B1AVPR1AAVPR2AVPR1B
SCHEMBL8713623 0.81 AVPR2 (0.54) AVPR1AAVPR2AVPR1B
SCHEMBL8713038 0.81 HSD11B1 (0.49) HSD11B1AVPR1AAVPR2
SCHEMBL8713915 0.80 AVPR2 (0.54) AVPR1AAVPR2AVPR1B

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