SCHEMBL458574

SCHEMBL458574

NC(=O)c1cccc2c1CCNC2c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 3/20 0.62
PRCP P42785 4/20 0.50
GAA P10253 1/20 0.49
KDM1A O60341 2/20 0.44
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
HTR7 P34969 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11575529 0.80 TAAR1 (0.52) GAADRD2DRD1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28131938 0.78 SLC22A1 (0.53) PRCPKDM1ATSHRNPSR1
Urea SCHEMBL28007088 0.76 PRCP (0.81) GID4PRCPGAAKDM1ADRD2
Carbamic Acid SCHEMBL9226170 0.76 PRCP (0.81) GID4PRCPGAAKDM1ADRD2
Urea SCHEMBL27886692 0.75 GAA (0.81) GID4PRCPGAAKDM1ADRD2
SCHEMBL28007086 0.74 PRCP (0.76) GID4PRCPGAAKDM1ADRD2
SCHEMBL18938979 0.72 GID4 (0.41) GID4DRD2DRD1TSHRNPSR1
SCHEMBL5969300 0.72 PRCP (0.54) GID4PRCPGAARECQLTSHR
Oxalic Acid SCHEMBL1695318 0.71 PRCP (0.83) GID4PRCPGAAKDM1ADRD2
Oxalic Acid SCHEMBL1695320 0.71 PRCP (0.83) GID4PRCPGAAKDM1ADRD2

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
EP-2408744-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-01-25 EP disclosed