SCHEMBL12948733

SCHEMBL12948733

O=C(NC[C@H]1CC[C@H](I)CC1)c1cc(Cl)cc2ccn(Cc3cc4ccccc4o3)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGDR Q13258 1/20 0.37
CHRM1 P11229 6/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
HTR4 Q13639 1/20 0.36
CHRM5 P08912 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL988181 0.91 VCP (0.38) KDM4EALDH1A1RAB9ANPC1TDP1
SCHEMBL12584924 0.88 RAB9A (0.41) KDM4EALDH1A1RAB9ANPC1DRD2
SCHEMBL988182 0.88 HTR4 (0.35) KDM4EALDH1A1RAB9ANPC1TDP1
SCHEMBL987404 0.80 KDM4E (0.39) KDM4EALDH1A1RAB9ANPC1DRD2
SCHEMBL12584914 0.79 HTR2B (0.43) KDM4EALDH1A1L3MBTL1DRD2DRD4
SCHEMBL987689 0.78 PTGER4 (0.40) KDM4EALDH1A1RAB9ANPC1DRD2
SCHEMBL12584603 0.78 DRD2 (0.40) KDM4EALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL12948849 0.78 RAB9A (0.44) KDM4EALDH1A1RAB9ANPC1DRD2
Bicarbonate SCHEMBL16143667 0.77 NPC1 (0.43) KDM4EALDH1A1RAB9ANPC1CNR1
SCHEMBL987406 0.77 KDM4E (0.36) KDM4EALDH1A1RAB9ANPC1DRD2

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
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed