SCHEMBL9900085

SCHEMBL9900085

O=C(OC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCC(c4ccccc4)C3)CC2)cc1)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4ccccc4)C3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
OPRK1 P41145 5/20 0.36
CTSS P25774 3/20 0.36
CAPN1 P07384 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 3/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP30 Q70CQ3 2/20 0.35
GPR6 P46095 1/20 0.35
OPRD1 P41143 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9900082 0.94 LMNA (0.41) MAPTLMNAOPRK1CTSSCAPN1
SCHEMBL9900634 0.94 MAPT (0.42) MAPTLMNAOPRK1CTSSCAPN1
SCHEMBL9901212 0.89 OPRK1 (0.45) MAPTLMNAOPRK1CTSSCAPN1
SCHEMBL9900633 0.87 LMNA (0.46) MAPTLMNAOPRK1CTSSCAPN1
SCHEMBL9900575 0.87 LMNA (0.46) MAPTLMNAOPRK1CTSSCAPN1
SCHEMBL9900018 0.86 OPRK1 (0.44) MAPTOPRK1KDM4ECYP3A4HSD17B10
SCHEMBL9901382 0.86 CYP3A4 (0.43) MAPTOPRK1KDM4ECYP3A4HSD17B10
SCHEMBL9900103 0.86 PTGER4 (0.40) CTSS
SCHEMBL9900285 0.85 PTGER4 (0.42) OPRK1CTSSUSP30GPR6OPRD1
SCHEMBL9900804 0.85 PTGER4 (0.41) OPRD1KCNH2

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 4 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 claimed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO claimed
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