SCHEMBL4658388

SCHEMBL4658388

O=C(c1cn(CCN2CCNCC2)c2cc(Cl)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 18/20 0.54
CNR2 P34972 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL613550 0.89 RBP4 (0.54) RBP4
Hydrochloric Acid SCHEMBL614973 0.88 RBP4 (0.53) RBP4CNR1
SCHEMBL613346 0.85 RBP4 (0.56) RBP4
SCHEMBL612849 0.84 RBP4 (0.56) RBP4
SCHEMBL614158 0.82 AVPR1A (0.58) RBP4CNR1
SCHEMBL614129 0.82 AVPR1A (0.57) RBP4CNR1
SCHEMBL614775 0.82 RBP4 (0.53) RBP4CNR1
SCHEMBL28771346 0.80 RBP4 (0.49) RBP4CNR1
SCHEMBL10209490 0.79 RBP4 (0.51) RBP4CNR1
SCHEMBL615322 0.79 RBP4 (0.51) RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed