SCHEMBL4784760

SCHEMBL4784760

NC[C@@H]1CCCN1C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.53
HCRTR2 O43614 9/20 0.53
CHRM3 P20309 1/20 0.47
MTTP P55157 2/20 0.46
FPR2 P25090 5/20 0.45
FPR1 P21462 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL4740974 0.88 TRPV1 (0.54) HCRTR1HCRTR2CHRM3TRPV1
SCHEMBL20040364 0.87 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL4784756 0.83 PDK2 (0.51) HCRTR1HCRTR2MTTPFPR2FPR1
SCHEMBL3048574 0.81 RORB (0.49) HCRTR1HCRTR2CHRM3TRPV1
SCHEMBL3058405 0.80 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1398834 0.80 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1398831 0.80 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2931383 0.78 HCRTR1 (0.48) HCRTR1HCRTR2MTTP
SCHEMBL3058145 0.78 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL20040339 0.77 HCRTR1 (0.67) HCRTR1HCRTR2TRPV1

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
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed