SCHEMBL4785360

SCHEMBL4785360

O=C(c1ccco1)N(Cc1ccc(N2CCN(C3CCCCC3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
OPRM1 P35372 1/20 0.40
CXCR3 P49682 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4735444 0.89 LMNA (0.52) LMNAKDM4ESMN1; SMN2OPRM1MEN1
SCHEMBL4734088 0.88 LMNA (0.53) LMNAKDM4ESMN1; SMN2OPRM1MEN1
SCHEMBL4737945 0.87 OPRM1 (0.44) LMNAKDM4EOPRM1TP53ALDH1A1
SCHEMBL4735586 0.86 LMNA (0.53) LMNAKDM4ESMN1; SMN2OPRM1MEN1
SCHEMBL4736215 0.85 LMNA (0.48) LMNAKDM4ESMN1; SMN2OPRM1MEN1
SCHEMBL4737984 0.85 ALDH1A1 (0.53) LMNAKDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL4739792 0.85 LMNA (0.49) LMNAKDM4EOPRM1MEN1KMT2A
SCHEMBL4738710 0.85 LMNA (0.49) LMNAKDM4ESMN1; SMN2OPRM1MEN1
SCHEMBL4733572 0.84 TSHR (0.45) KDM4EHRH3OPRM1CXCR3TP53
SCHEMBL4735594 0.83 OPRM1 (0.48) LMNAKDM4EOPRM1ALDH1A1TSHR

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