SCHEMBL9690903

SCHEMBL9690903

CC(=O)N(Cc1ccccc1)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
TSPO P30536 1/20 0.46
NPC1 O15118 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
LMNA P02545 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL18429032 0.98 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6630975 0.81 TDP1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7712884 0.79 AKT1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6104697 0.77 MEN1 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3687461 0.73 KMT2A (0.44) CHRM2CHRM3NPC1ALDH1A1RAB9A
Cyclohexane SCHEMBL9835197 0.72 ALOX5 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL303045 0.72 SIGMAR1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8459141 0.72 HRH3 (0.51) NPC1ALDH1A1RAB9AHRH3
SCHEMBL28614652 0.71 ACHE (0.46) NPC1KDM4EALDH1A1RAB9ALMNA
SCHEMBL252894 0.71 HPGD (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302372-B1 NAPHTHYRIDINE ANTIANAEROBIC COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-16 EP disclosed
EP-0302372-A1 Naphthyridine antianaerobic compounds ABBOTT LABORATORIES (US) 1989-02-08 EP disclosed