SCHEMBL4735549

SCHEMBL4735549

O=C(c1ccnnc1)N(Cc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
MAPK14 Q16539 7/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
CXCR2 P25025 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4736577 0.90 TSHR (0.49) MEN1KMT2AATMMAPK14ALDH1A1
SCHEMBL4738909 0.89 TSHR (0.44) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4737305 0.88 DRD4 (0.45) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4733666 0.86 OPRM1 (0.49) MAPK14ALDH1A1KDM4ETSHRMAPT
SCHEMBL4733795 0.86 KDM4E (0.51) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4739217 0.86 MEN1 (0.42) MEN1KMT2AATMMAPK14ALDH1A1
SCHEMBL4738924 0.85 OPRM1 (0.40) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4737659 0.85 KDM4E (0.47) MAPK14ALDH1A1KDM4ETSHROPRM1
SCHEMBL4735426 0.85 OPRM1 (0.43) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4740309 0.84 LMNA (0.46) MEN1KMT2AATMMAPK14ALDH1A1

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