SCHEMBL7982430

SCHEMBL7982430

CN(C)C1C[C@@H]2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc3N2C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.57
AVPR1A P37288 12/20 0.57
AVPR1B P47901 1/20 0.53
OXTR P30559 1/20 0.53

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
SCHEMBL7968295 1.00 AVPR2 (0.57) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL7981935 0.99 AVPR2 (0.57) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7968564 0.94 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8143417 0.94 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7978166 0.92 AVPR2 (0.55) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7984862 0.92 AVPR2 (0.55) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7981408 0.87 AVPR2 (0.59) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7968664 0.87 AVPR2 (0.59) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7968259 0.87 AVPR2 (0.59) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7978555 0.87 AVPR2 (0.59) AVPR2AVPR1AAVPR1BOXTR

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