SCHEMBL8714665

SCHEMBL8714665

O=C(Nc1ccc(C(=O)N2c3ccccc3CCCC2NCCc2ccccn2)cc1)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
GRM4 Q14833 1/20 0.43
AVPR1A P37288 5/20 0.43
AVPR1B P47901 1/20 0.43
AVPR2 P30518 4/20 0.43
OXTR P30559 2/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL7349300 0.80 AVPR1A (0.51) HSD11B1AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7350019 0.75 HSD11B1 (0.43) HSD11B1AVPR1AAVPR1BAVPR2OXTR
SCHEMBL9838243 0.73 AVPR2 (0.64) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7356474 0.72 AVPR1A (0.77) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8558525 0.69 AVPR1A (0.58) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8719656 0.69 AVPR2 (0.66) AVPR1AAVPR2OXTR
SCHEMBL8713003 0.69 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL8715632 0.68 AVPR2 (0.52) AVPR1AAVPR2OXTR
SCHEMBL6973320 0.66 AVPR2 (0.72) AVPR1AAVPR2OXTR
SCHEMBL8562670 0.66 AVPR1A (0.60) AVPR1AAVPR1BAVPR2OXTR

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