SCHEMBL9998115

SCHEMBL9998115

CN1CCC(CCCn2ccc3c(Cl)c(-c4nc5ccccc5[nH]4)ccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
AMY1A P0DUB6 1/20 0.39
DRD3 P35462 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
EGFR P00533 1/20 0.36
FGFR1 P11362 2/20 0.36
TRPV4 Q9HBA0 2/20 0.36
FLT1 P17948 1/20 0.36
CXCR3 P49682 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
SCHEMBL4168126 0.82 HRH4 (0.53) HRH4
SCHEMBL603509 0.82 HRH4 (0.55) HRH4
SCHEMBL605352 0.81 HRH4 (0.41) HRH4
SCHEMBL604317 0.78 HRH4 (0.40) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL605703 0.76 HRH4 (0.46) HRH4CXCR3
SCHEMBL605193 0.76 HRH4 (0.38) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL603878 0.74 HRH4 (0.41) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL604091 0.74 HRH4 (0.39) HRH4CXCR3KDR
SCHEMBL606639 0.74 HRH4 (0.39) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL601656 0.73 HRH4 (0.42) HRH4FGFR1FLT1PDGFRBKDR

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-8084466-B2 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-12-27 US claimed