SCHEMBL7979755

SCHEMBL7979755

O=C(Nc1ccc(C(=O)N2C[C@@H]3C[C@@H](O)CN3C(=S)c3ccccc32)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.55
AVPR1A P37288 15/20 0.55
OXTR P30559 1/20 0.53
AVPR1B P47901 2/20 0.50

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
SCHEMBL7968528 1.00 AVPR2 (0.55) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7984840 0.93 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7981529 0.93 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968664 0.91 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7982315 0.91 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7968286 0.91 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7978555 0.91 AVPR2 (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7980061 0.90 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7978420 0.90 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7981551 0.86 AVPR2 (0.58) 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