SCHEMBL5137233

SCHEMBL5137233

CN1CC[C@@H](Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)C1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.77
OXTR P30559 1/20 0.55
CNR1 P21554 5/20 0.49
AVPR2 P30518 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL4356089 1.00 AVPR1A (0.77) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL4364334 0.95 AVPR1A (0.80) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL4356439 0.89 AVPR1A (0.75) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL4355145 0.87 AVPR1A (0.77) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL5136463 0.87 AVPR1A (0.77) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL4357753 0.87 AVPR1A (1.00) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL4361697 0.87 AVPR1A (1.00) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL5136143 0.86 AVPR1A (0.76) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL4356225 0.86 AVPR1A (0.76) AVPR1AOXTRCNR1AVPR2CNR2
SCHEMBL4359537 0.85 AVPR1A (0.80) AVPR1AOXTRCNR1AVPR2CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 EP claimed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO claimed
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed