SCHEMBL7968664

SCHEMBL7968664

O=C(Nc1ccc(C(=O)N2C[C@H]3CC(O)CN3c3ccccc32)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.59
AVPR1A P37288 13/20 0.59
OXTR P30559 1/20 0.56
AVPR1B P47901 2/20 0.52

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
SCHEMBL7982315 1.00 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7978555 1.00 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968286 1.00 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL29777395 0.93 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL7984981 0.93 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL7978536 0.93 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL7982044 0.93 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL7968384 0.93 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL7981408 0.92 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968259 0.92 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B

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-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP disclosed