SCHEMBL9566716

SCHEMBL9566716

OC(CNc1ccccn1)c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.77
KDM4E B2RXH2 3/20 0.56
FAAH O00519 3/20 0.55
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
FDPS P14324 1/20 0.50
FFAR2 O15552 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.47
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.45
CXCR4 P61073 1/20 0.44
P4HB P07237 1/20 0.43
ITGA2B P08514 1/20 0.43
LMNA P02545 1/20 0.43
FABP1 P07148 1/20 0.42
FABP6 P51161 1/20 0.42

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
Phenyramidol SCHEMBL13310227 0.87 CYP2D6 (1.00) CYP2D6KDM4EFAAHFDPSCXCR4
Phenyramidol SCHEMBL29500950 0.87 CYP2D6 (1.00) CYP2D6KDM4EFAAHFDPSCXCR4
Phenyramidol SCHEMBL13310219 0.87 CYP2D6 (1.00) CYP2D6KDM4EFAAHFDPSCXCR4
Phenyramidol SCHEMBL21963 0.87 CYP2D6 (1.00) CYP2D6KDM4EFAAHFDPSCXCR4
Phenyramidol SCHEMBL20769334 0.86 CYP2D6 (0.97) CYP2D6KDM4EFAAHFDPSCXCR4
Phenyramidol SCHEMBL121004 0.86 CYP2D6 (0.97) CYP2D6KDM4EFAAHFDPSCXCR4
Phenyramidol SCHEMBL29375712 0.86 CYP2D6 (0.97) CYP2D6KDM4EFAAHFDPSCXCR4
Phenyramidol SCHEMBL3446649 0.82 CYP2D6 (0.88) CYP2D6KDM4EFAAHFDPSPOLB
SCHEMBL7876392 0.78 ITGB3 (0.65) CYP2D6KDM4ES1PR1S1PR3FFAR2
SCHEMBL6800071 0.74 CYP2D6 (0.65) CYP2D6KDM4EFDPSPOLBNPC1

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
JP-5286938-A None JP disclosed
JP-H05286938-A AMINOALCOHOL DERIVATIVE KOHJIN CO LTD 1993-11-02 JP disclosed