SCHEMBL493600

SCHEMBL493600

CN(C)C(c1ccccc1)C1CCC(NC(=O)CNC(=O)c2nc(-c3c(Cl)cccc3Cl)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.40
RAB9A P51151 3/20 0.38
CCR2 P41597 2/20 0.38
KMT2A Q03164 4/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
GPR139 Q6DWJ6 2/20 0.35
GLA P06280 1/20 0.35
PKM P14618 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
SCHEMBL492913 0.90 RAB9A (0.39) RAB9ACCR2KMT2AKDM4EMAPT
SCHEMBL493223 0.90 RAB9A (0.38) GHSRRAB9ACCR2KMT2AKDM4E
SCHEMBL493820 0.88 RAB9A (0.40) RAB9ACCR2NPC1GPR139
SCHEMBL493800 0.85 GHSR (0.38) GHSRRAB9ACCR2KMT2ANCOA1
SCHEMBL493779 0.85 SMN1; SMN2 (0.52) RAB9AKMT2AKDM4EMAPTNPC1
SCHEMBL494415 0.85 TSHR (0.42) RAB9AKMT2ANPC1POLBPKM
SCHEMBL493647 0.85 KDM4E (0.48) CCR2KMT2AKDM4EMAPTNPC1
SCHEMBL493737 0.84 KMT2A (0.49) KMT2AKDM4EMAPTPOLB
SCHEMBL493863 0.84 LMNA (0.48) CCR2KMT2AMAPTPKM
SCHEMBL492929 0.83 RAB9A (0.37) RAB9ACCR2

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed