SCHEMBL5873628

SCHEMBL5873628

Cc1nc2ccc(NC(=O)Nc3ccc4nc(N5CC6CCC5CC6)ccc4c3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.53
SMN1; SMN2 Q16637 10/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
LDHA P00338 2/20 0.49
RAB9A P51151 9/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 7/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.45
P2RX7 Q99572 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6560080 0.94 MCHR1 (0.54) MCHR1SMN1; SMN2GAATSHRMAPT
SCHEMBL5873688 0.82 MCHR1 (0.55) MCHR1SMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL5873481 0.82 MCHR1 (0.55) MCHR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5873704 0.82 MCHR1 (0.62) MCHR1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL5873575 0.82 MCHR1 (0.55) MCHR1SMN1; SMN2GAATSHRMAPT
SCHEMBL5873563 0.80 MCHR1 (0.65) MCHR1RAB9ANPC1MEN1KMT2A
SCHEMBL5873541 0.80 MCHR1 (0.55) MCHR1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL5873634 0.80 MCHR1 (0.75) MCHR1
SCHEMBL5873605 0.79 MCHR1 (0.54) MCHR1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL5873765 0.79 MCHR1 (0.54) MCHR1SMN1; SMN2MAPTRAB9AKDM4E

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-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US claimed