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Sugi Predict / Compounds / SCHEMBL18917271

SCHEMBL18917271

SCHEMBL18917271

Cc1cc(CNC(=O)OC2CCN(CCC(C)(C)C)CC2)ccc1C(=O)N1Cc2cnn(C)c2Nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 20/20 0.51
▸ OXTR P30559 13/20 0.51
▸ AVPR2 P30518 7/20 0.48
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL18917249 0.93 AVPR1A (0.51) AVPR1AOXTRAVPR2
SCHEMBL18917236 0.93 AVPR1A (0.42) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917223 0.93 AVPR1A (0.45) AVPR1AOXTRAVPR2
SCHEMBL18917286 0.92 AVPR1A (0.42) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917287 0.91 AVPR1A (0.52) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2131478 0.90 AVPR1A (0.52) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917293 0.88 AVPR1A (0.67) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917235 0.86 AVPR1A (0.39) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917246 0.86 AVPR1A (0.43) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917266 0.86 AVPR1A (0.42) 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-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 — — EP claimed