SCHEMBL4738909

SCHEMBL4738909

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK14 Q16539 3/20 0.43
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.40
CXCR2 P25025 1/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
CETP P11597 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4737305 0.92 DRD4 (0.45) TSHRKDM4EALDH1A1MAPK14KMT2A
SCHEMBL4733666 0.90 OPRM1 (0.49) TSHRKDM4EALDH1A1MAPK14MAPT
SCHEMBL4733795 0.90 KDM4E (0.51) TSHRKDM4EALDH1A1MAPK14KMT2A
SCHEMBL4738924 0.89 OPRM1 (0.40) TSHRKDM4EALDH1A1MAPK14KMT2A
SCHEMBL4737659 0.89 KDM4E (0.47) TSHRKDM4EALDH1A1MAPK14OPRM1
SCHEMBL4735549 0.89 MEN1 (0.43) TSHRKDM4EALDH1A1MAPK14KMT2A
SCHEMBL4735426 0.89 OPRM1 (0.43) TSHRKDM4EALDH1A1MAPK14KMT2A
SCHEMBL4737014 0.87 HDAC2 (0.42) TSHRKDM4EALDH1A1MAPK14CXCR2
SCHEMBL4735517 0.85 MAPK14 (0.38) TSHRKDM4EALDH1A1MAPK14CXCR2
SCHEMBL4734903 0.85 KDM4E (0.41) TSHRKDM4EALDH1A1MAPK14KMT2A

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