SCHEMBL15920168

SCHEMBL15920168

Cc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.61
CACNA1B Q00975 4/20 0.61
CACNB1 Q02641 4/20 0.61
CACNA1C Q13936 2/20 0.61
GAA P10253 1/20 0.60
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
FAAH O00519 2/20 0.57
MEN1 O00255 2/20 0.56
CNR1 P21554 2/20 0.56
CNR2 P34972 2/20 0.56
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
TAS1R2 Q8TE23 2/20 0.56
NAMPT P43490 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54

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
SCHEMBL15920165 0.90 CACNA2D1 (0.68) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL15920269 0.88 CA12 (0.64) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL15919857 0.86 MAPT (0.70) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL15920167 0.84 FAAH (0.64) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL15920162 0.83 FAAH (0.60) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL31350655 0.83 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL31350846 0.83 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL15920163 0.83 NPY2R (0.76) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL27652942 0.82 NPC1 (0.83) GAAKMT2ANPC1RAB9AFAAH
SCHEMBL19231602 0.81 NPC1 (0.67) GAAKMT2ANPC1RAB9AFAAH

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-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed