SCHEMBL7979809

SCHEMBL7979809

O=C(Nc1ccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.77
AVPR1A P37288 12/20 0.77
OXTR P30559 1/20 0.65

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
SCHEMBL3766168 1.00 AVPR2 (0.77) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL7982220 0.99 AVPR2 (0.76) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL7980058 0.99 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL13980488 0.97 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL7978346 0.93 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL7984850 0.93 AVPR2 (0.68) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL7968219 0.92 AVPR2 (0.67) AVPR2AVPR1AOXTR
SCHEMBL7982654 0.86 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL7979671 0.86 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL7981363 0.86 AVPR2 (0.72) AVPR2AVPR1AOXTR

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