SCHEMBL23323600

SCHEMBL23323600

N#Cc1ccccc1C1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.43
CHRM5 P08912 5/20 0.41
CHRM3 P20309 5/20 0.41
CHRM2 P08172 5/20 0.41
CHRM1 P11229 4/20 0.41
CHRM4 P08173 4/20 0.41
IKBKB O14920 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL28740958 0.95 IKBKB (0.45) HCRTR2CHRM5CHRM3CHRM2CHRM1
SCHEMBL27837299 0.87 KDM1A (0.39) HCRTR2CHRNB2CHRNA4KMT2AKDM1A
SCHEMBL23323109 0.83 CHRM5 (0.41) CHRM5CHRM3CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL29747942 0.79 MEN1 (0.39) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL15880395 0.78 MEN1 (0.41) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL2859123 0.78 HTR2C (0.43) HCRTR2KDM1A
SCHEMBL28986744 0.76 ADRA1A (0.33) HCRTR2KDM1A
SCHEMBL31525053 0.74 MEN1 (0.38) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL24737036 0.74 MEN1 (0.38) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL23323069 0.74 CHRM5 (0.46) CHRM5CHRM3CHRM2CHRM1CHRM4

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-2021083135-A1 Bcl-2 INHIBITORS BEIGENE, LTD. (KY) 2021-05-06 WO disclosed