SCHEMBL9749368

SCHEMBL9749368

CN1C2CCCC1C[N]C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRM4 P08173 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRNB2 P17787 1/20 0.31
HRH1 P35367 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL193461 0.88
SCHEMBL410993 0.78 MAPK1 (0.57) MAPK1LMNACYP2C9CHRNB4CHRNA3
SCHEMBL14320158 0.78 MAPK1 (0.57) MAPK1LMNACYP2C9CHRNB4CHRNA3
SCHEMBL4726321 0.77
SCHEMBL14434380 0.76
SCHEMBL44882 0.76
SCHEMBL44881 0.76
SCHEMBL22311884 0.76
SCHEMBL278483 0.76 MAPK1 (0.55) MAPK1LMNACYP2C9CHRNB4CHRNA3
SCHEMBL12955575 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217045-B2 Organic compounds NOVARTIS AG (CH) 2012-07-10 US claimed
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP claimed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US claimed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP claimed
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
US-4210648-A ANTIULCEROGENICS, SECRETION INHIBITORS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-01 US disclosed