SCHEMBL8938233

SCHEMBL8938233

COc1ccc(CCN2CCC[C@@H](O)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.66
SIGMAR1 Q99720 2/20 0.60
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL6795794 0.92 SIGMAR1 (0.64) HRH3SIGMAR1MAOAMAOB
SCHEMBL6795798 0.92 SIGMAR1 (0.64) HRH3SIGMAR1MAOAMAOB
SCHEMBL6800161 0.92 SIGMAR1 (0.64) HRH3SIGMAR1MAOAMAOB
SCHEMBL30291085 0.86 ALDH1A1 (0.66) HRH3SIGMAR1
SCHEMBL8938430 0.84 HRH3 (0.69) HRH3SIGMAR1MEN1KMT2A
SCHEMBL6796835 0.83 SIGMAR1 (0.57) HRH3SIGMAR1GAA
SCHEMBL4806889 0.83 HRH3 (0.66) HRH3SIGMAR1NPC1RAB9AMAOA
SCHEMBL6796838 0.83 SIGMAR1 (0.57) HRH3SIGMAR1GAA
SCHEMBL7355512 0.83 HRH3 (0.66) HRH3SIGMAR1NPC1RAB9AMAOA
SCHEMBL4806896 0.83 HRH3 (0.66) HRH3SIGMAR1NPC1RAB9AMAOA

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 6 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