SCHEMBL7982115

SCHEMBL7982115

O=C(Nc1ccc(C(=O)N2CC3CCCN3C(=S)c3ccccc32)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.58
AVPR1A P37288 16/20 0.58
OXTR P30559 1/20 0.58
AVPR1B P47901 4/20 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
SCHEMBL7981551 1.00 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7979779 1.00 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8127153 0.93 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7981347 0.93 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7978115 0.91 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7978342 0.91 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7977874 0.90 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968097 0.90 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968528 0.86 AVPR2 (0.55) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7979755 0.86 AVPR2 (0.55) 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 1 patent. 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