SCHEMBL9904612

SCHEMBL9904612

Fc1ccccc1NC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ATM Q13315 2/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL2912672 0.78 KMT2A (0.43) OPRM1OPRD1CNR1CNR2KMT2A
SCHEMBL2088247 0.78 MAPT (0.46) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL9900566 0.78 OPRM1 (0.44) GAAKDM4EOPRM1OPRD1OPRK1
SCHEMBL7484764 0.78 LMNA (0.56) GAAOPRM1OPRD1OPRK1OPRL1
SCHEMBL7395753 0.78 OPRM1 (0.46) GAAOPRM1OPRD1OPRK1OPRL1
SCHEMBL3108615 0.78 KMT2A (0.40) GAAOPRM1OPRD1OPRK1OPRL1
SCHEMBL7653400 0.76 OPRM1 (0.39) GAAOPRM1OPRD1OPRK1OPRL1
SCHEMBL6926382 0.75 KDM4E (0.49) GAAKDM4EKMT2ACHRM4CHRM5
SCHEMBL1104991 0.73 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1CNR1
SCHEMBL1221639 0.73 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CNR1

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-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO disclosed