SCHEMBL15920163

SCHEMBL15920163

CCOc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.76
FAAH O00519 4/20 0.64
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
NOD2 Q9HC29 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
CACNA2D1 P54289 1/20 0.53
CACNA1B Q00975 1/20 0.53
CACNB1 Q02641 1/20 0.53
CACNA1C Q13936 1/20 0.53
THRB P10828 2/20 0.53
MAPK1 P28482 1/20 0.53
ABL1 P00519 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL15919857 0.87 MAPT (0.70) NPY2RFAAHNPC1RAB9AMAPT
SCHEMBL15919866 0.86 NPY2R (1.00) NPY2RMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL15920167 0.85 FAAH (0.64) NPY2RFAAHMAPTSMN1; SMN2NPSR1
SCHEMBL15920165 0.84 CACNA2D1 (0.68) FAAHMAPTNPSR1KMT2AMEN1
SCHEMBL15920168 0.83 CACNA2D1 (0.61) FAAHNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL15920183 0.82 MAPT (0.64) NPY2RMAPTKMT2AMEN1POLB
SCHEMBL15920269 0.81 CA12 (0.64) MAPTNPSR1KMT2AMEN1CNR1
SCHEMBL15920162 0.80 FAAH (0.60) FAAHNPSR1KMT2AMEN1CNR1
SCHEMBL15920276 0.79 MAPT (0.70) FAAHNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL15919872 0.78 MAPT (0.59) FAAHNPC1RAB9AMAPTSMN1; SMN2

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