SCHEMBL4736742

SCHEMBL4736742

NC(=O)C1CCN(c2ccc(CN(C(=O)c3cccnc3)c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ABL1 P00519 1/20 0.44
SMO Q99835 1/20 0.41
TNF P01375 1/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
VNN1 O95497 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
MAPK14 Q16539 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK1 Q15118 2/20 0.39
OPRD1 P41143 1/20 0.39
KCNH2 Q12809 1/20 0.39
CXCR2 P25025 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
SCHEMBL4737958 0.90 TSHR (0.48) GAATSHRKDM4ESMOVNN1
SCHEMBL4736736 0.90 CDK9 (0.44) GAATSHRKDM4EVNN1OPRM1
SCHEMBL4735235 0.89 GAA (0.47) GAATSHRKDM4ESMOOPRM1
SCHEMBL4735150 0.87 TSHR (0.51) GAATSHRKDM4ESMN1; SMN2OPRM1
SCHEMBL4738289 0.87 GAA (0.45) GAATSHRKDM4ESMOOPRM1
SCHEMBL4786168 0.87 TSHR (0.47) GAATSHRKDM4ESMOVNN1
SCHEMBL3823684 0.86 KDM4E (0.45) KDM4ELMNAABL1OPRM1OPRK1
SCHEMBL4736584 0.86 TSHR (0.51) GAATSHRKDM4ESMN1; SMN2OPRM1
SCHEMBL4738239 0.86 TSHR (0.49) GAATSHRKDM4EOPRM1OPRK1
SCHEMBL4739086 0.86 TSHR (0.52) GAATSHRKDM4ELMNASMN1; SMN2

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