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SCHEMBL28771346

SCHEMBL28771346

CN1CCN(C(Cn2cc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c3ccc(Cl)cc32)C(=O)C(Cn2cc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c3ccc(Cl)cc32)N2CCN(C)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 16/20 0.49
▸ AVPR1A P37288 2/20 0.43
▸ TPSAB1 Q15661 1/20 0.41
▸ CNR1 P21554 1/20 0.41

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
SCHEMBL27716133 0.90 AVPR1A (0.44) RBP4AVPR1ATPSAB1CNR1
SCHEMBL28771348 0.90 RBP4 (0.48) RBP4AVPR1ATPSAB1CNR1
SCHEMBL27736973 0.89 AVPR1A (0.41) RBP4AVPR1ATPSAB1CNR1
SCHEMBL614158 0.86 AVPR1A (0.58) RBP4AVPR1ACNR1
SCHEMBL28771298 0.86 AVPR1A (0.42) AVPR1ATPSAB1CNR1
SCHEMBL613346 0.82 RBP4 (0.56) RBP4
SCHEMBL27716159 0.81 MAPT (0.43) AVPR1ATPSAB1CNR1
SCHEMBL612849 0.81 RBP4 (0.56) RBP4
SCHEMBL614775 0.81 RBP4 (0.53) RBP4AVPR1ACNR1
SCHEMBL614129 0.81 AVPR1A (0.57) RBP4AVPR1ACNR1

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
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives — 2011-12-28 — — CN claimed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 — — CN claimed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives — 2011-12-28 — — CN disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 — — CN disclosed