SCHEMBL9634877

SCHEMBL9634877

CNC(=O)CCCN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.45
CHRM3 P20309 2/20 0.45
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
CXCR4 P61073 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL11033869 0.89 CHRM5 (0.47) CHRM5CHRM3GNAI3GNAO1GNAI1
SCHEMBL6760028 0.83 CYP1A2 (0.57) SIGMAR1ALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL12152422 0.81 PAOX (0.55) ALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL1909619 0.81 CYP1A2 (0.60) MEN1KMT2AALDH1A1CYP1A2MAPK1
SCHEMBL4236957 0.79 PAOX (0.56) CHRM5CHRM3CXCR4MEN1KMT2A
SCHEMBL22266267 0.79 MEN1 (0.43) CHRM5CHRM3CXCR4MEN1KMT2A
SCHEMBL9925862 0.79 SMN1; SMN2 (0.54) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL7310808 0.79 MEN1 (0.49) CHRM5CHRM3CXCR4MEN1KMT2A
SCHEMBL21443809 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL17285867 0.77 POLB (0.58) MEN1KMT2ANPC1

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-0166509-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-13 EP disclosed