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SCHEMBL1496129

SCHEMBL1496129

Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)C1CCC(CNC(=O)N3CCN(CC4CC4)CC3)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 20/20 0.43
▸ OXTR P30559 7/20 0.43
▸ AVPR2 P30518 3/20 0.43
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL1496072 0.98 AVPR1A (0.43) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL1496069 0.93 AVPR1A (0.42) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL1496034 0.92 AVPR1A (0.43) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL1496081 0.92 AVPR1A (0.45) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL1496276 0.91 AVPR1A (0.41) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL1496011 0.91 AVPR1A (0.41) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL1496255 0.90 IDH1 (0.38) AVPR1AOXTRAVPR2
SCHEMBL1495996 0.90 AVPR1A (0.45) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL1496002 0.89 AVPR1A (0.52) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL1495930 0.87 AVPR1A (0.40) AVPR1AOXTRAVPR2

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-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 — — EP claimed