SCHEMBL9114293

SCHEMBL9114293

[CH]=C/C=C/CC1NCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.36
SLC22A1 O15245 1/20 0.36
PNMT P11086 2/20 0.33
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 2/20 0.31
CYP1A2 P05177 2/20 0.31
DRD1 P21728 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9114302 1.00 PRCP (0.36) PRCPSLC22A1PNMTCYP2D6CYP3A4
SCHEMBL14304629 0.77 PRCP (0.39) PRCPSLC22A1PNMTKDM4EALDH1A1
SCHEMBL6066100 0.77 HTR1A (0.40) PRCPSLC22A1PNMTMEN1KMT2A
SCHEMBL3111967 0.72 PRCP (0.43) PRCPSLC22A1PNMTCYP2D6CYP3A4
SCHEMBL24639493 0.71 PRCP (0.42) PRCPSLC22A1PNMTCYP2D6CYP3A4
SCHEMBL6468720 0.71 PRCP (0.45) PRCPSLC22A1PNMTALDH1A1MAPT
SCHEMBL3119873 0.71 HTR2A (0.47) PRCPSLC22A1PNMTADRB2ADRB1
SCHEMBL1206939 0.71 PRCP (0.42) PRCPSLC22A1PNMTCYP2D6CYP3A4
SCHEMBL3111962 0.71 PRCP (0.42) PRCPSLC22A1PNMTCYP2D6CYP3A4
SCHEMBL1167895 0.71 PRCP (0.42) PRCPSLC22A1PNMTCYP2D6CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed