SCHEMBL15919872

SCHEMBL15919872

CCOc1ccc(NC(=O)N2CCC(NC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 2/20 0.55
FAAH O00519 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RECQL P46063 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 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
SCHEMBL15919871 0.90 NPY2R (0.62) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL15920276 0.83 MAPT (0.70) MAPTKDM4EALDH1A1THRBFAAH
SCHEMBL15920163 0.78 NPY2R (0.76) MAPTTHRBFAAHPOLBSMN1; SMN2
SCHEMBL15919996 0.76 NPY2R (0.77) MAPTKDM4ELMNATHRBFAAH
SCHEMBL15920278 0.75 MAPT (0.54) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL15920002 0.74 NPC1 (0.65) MAPTKDM4ELMNATHRBFAAH
SCHEMBL15920284 0.73 CYP2C9 (0.63) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL27647454 0.71 KMT2A (0.61) MAPTALDH1A1LMNATHRBFAAH
SCHEMBL5421806 0.71 KMT2A (0.61) MAPTKDM4ELMNATHRBFAAH
SCHEMBL1574931 0.71 SMN1; SMN2 (0.64) MAPTTHRBFAAHHSD17B10POLB

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