SCHEMBL7968499

SCHEMBL7968499

O=C1C[C@H]2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc3C(=O)N2C1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.58
AVPR1A P37288 14/20 0.58
OXTR P30559 1/20 0.54
AVPR1B P47901 1/20 0.49

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
SCHEMBL7978122 1.00 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7982251 0.93 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL7981427 0.93 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL7978495 0.93 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL7979687 0.93 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL7980075 0.86 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL7985226 0.86 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL7978420 0.85 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7977874 0.85 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7980061 0.85 AVPR2 (0.56) 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 3 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 claimed
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