SCHEMBL9749461

SCHEMBL9749461

c1ccc(CN2C3CCNCC2C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM3 P20309 1/20 0.48
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
KCNH2 Q12809 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A2 P23975 1/20 0.43
DRD3 P35462 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
GBA1 P04062 1/20 0.42

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
SCHEMBL1988535 0.89 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM3CHRNB2
SCHEMBL12564505 0.88 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRM3CHRNB2
SCHEMBL1988057 0.86 CHRM2 (0.50) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL3082036 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3CHRNB2
SCHEMBL3083479 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3CHRNB2
SCHEMBL3076478 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3CHRNB2
SCHEMBL286992 0.81 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM3CHRNB2
SCHEMBL19839225 0.81 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM3CHRNB2
Hydrochloric Acid SCHEMBL25368439 0.80 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM3CHRNB2
Hydrochloric Acid SCHEMBL1869998 0.80 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP disclosed