SCHEMBL4740309

SCHEMBL4740309

O=C(c1ccco1)N(Cc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
OPRM1 P35372 1/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL4739792 0.89 LMNA (0.49) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL4735594 0.87 OPRM1 (0.48) LMNAALDH1A1KDM4ETSHROPRM1
SCHEMBL4738710 0.87 LMNA (0.49) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL4734088 0.86 LMNA (0.53) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL4735586 0.86 LMNA (0.53) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL4735444 0.86 LMNA (0.52) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL4738686 0.85 OPRM1 (0.55) LMNAALDH1A1KDM4ETSHROPRM1
SCHEMBL4737984 0.85 ALDH1A1 (0.53) LMNAALDH1A1NPSR1KDM4ETSHR
SCHEMBL4735549 0.84 MEN1 (0.43) MEN1KMT2AATMALDH1A1NPSR1
SCHEMBL4736577 0.84 TSHR (0.49) LMNAMEN1KMT2AATMALDH1A1

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed