SCHEMBL4359631

SCHEMBL4359631

CC(=O)On1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 18/20 0.70
OXTR P30559 1/20 0.62
AVPR2 P30518 1/20 0.51
SPR P35270 1/20 0.42

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
SCHEMBL4359636 1.00 AVPR1A (0.70) AVPR1AOXTRAVPR2SPR
SCHEMBL13603015 0.84 AVPR1A (0.69) AVPR1AOXTRAVPR2
SCHEMBL4359209 0.82 AVPR1A (0.82) AVPR1AOXTRAVPR2
SCHEMBL4359918 0.82 AVPR1A (0.81) AVPR1AOXTRAVPR2
SCHEMBL4359922 0.82 AVPR1A (0.81) AVPR1AOXTRAVPR2
SCHEMBL4359207 0.82 AVPR1A (0.82) AVPR1AOXTRAVPR2
SCHEMBL4358542 0.82 AVPR1A (1.00) AVPR1AOXTRAVPR2
SCHEMBL4357766 0.82 AVPR1A (1.00) AVPR1AOXTRAVPR2
SCHEMBL4357768 0.82 AVPR1A (1.00) AVPR1AOXTRAVPR2
SCHEMBL4359001 0.81 AVPR1A (0.73) AVPR1AOXTRAVPR2SPR

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
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed