SCHEMBL7317606

SCHEMBL7317606

COc1ccc(CCCl)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 13/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.52
GFER P55789 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TTR P02766 1/20 0.48

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
SCHEMBL30135880 1.00 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL31090163 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL11439108 0.88 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL499343 0.87 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL8973887 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL8867003 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL2742574 0.84 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL3720228 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL8867007 0.84 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL16233087 0.83 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534626-A SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST INTERMEDIATES PFIZER INC. (US) 1996-07-09 US disclosed
US-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US disclosed
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 US disclosed
EP-0350309-B1 PIPERIDINE DERIVATIVES Pfizer Limited (GB) 1992-11-11 EP disclosed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US disclosed
EP-0350309-A1 Piperidine derivatives Pfizer Limited (GB) 1990-01-10 EP disclosed
US-4438131-A CARDIOVASCULAR DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
EP-0064158-A1 Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them BASF Aktiengesellschaft (DE) 1982-11-10 EP disclosed