SCHEMBL7968571

SCHEMBL7968571

CC(C)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4CCCN4c4ccccc43)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.51
AVPR1A P37288 9/20 0.51
OXTR P30559 1/20 0.51
AVPR1B P47901 1/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 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
SCHEMBL7981711 1.00 AVPR2 (0.51) AVPR2AVPR1AOXTRAVPR1BMAPT
SCHEMBL7980104 0.91 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1BMAPT
SCHEMBL7968266 0.91 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1BMAPT
SCHEMBL7978115 0.90 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1BMAPT
SCHEMBL7978342 0.90 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1BMAPT
SCHEMBL8151877 0.86 AVPR2 (0.49) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968298 0.86 AVPR2 (0.49) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968283 0.83 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968348 0.83 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968097 0.82 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