SCHEMBL8938339

SCHEMBL8938339

CC(C)(C)c1ccccc1[C@@H](ON1CCCCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
LMNA P02545 2/20 0.38
CYP2D6 P10635 7/20 0.37
CYP1A2 P05177 6/20 0.37
CYP2C19 P33261 6/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 6/20 0.37
KCNH2 Q12809 6/20 0.37
CYP2C9 P11712 4/20 0.37
KCNA5 P22460 4/20 0.37
KCNE1 P15382 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP2B6 P20813 1/20 0.35
TSHR P16473 2/20 0.35
CHRM2 P08172 2/20 0.35
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD1 P21728 2/20 0.35
SLC6A2 P23975 2/20 0.35

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
SCHEMBL8938333 1.00 CHRNA7 (0.42) CHRNA7LMNACYP2D6CYP1A2CYP2C19
SCHEMBL1802065 0.81 CYP3A4 (0.52) CHRNA7LMNACYP2D6CYP1A2CYP2C19
SCHEMBL8938188 0.81 CHRNA7 (0.62) CHRNA7LMNACYP2D6CYP1A2CYP2C19
SCHEMBL8938184 0.81 CHRNA7 (0.62) CHRNA7LMNACYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7654483 0.79 CYP3A4 (0.50) CHRNA7LMNACYP2D6CYP1A2CYP2C19
SCHEMBL28042294 0.79 CYP2D6 (0.50) CHRNA7LMNACYP2D6CYP1A2CYP2C19
SCHEMBL5765318 0.74 IDO1 (0.56) CHRNA7LMNACYP2D6CYP1A2CYP2C19
Carbamic Acid SCHEMBL17460309 0.72 GAA (0.47) LMNACYP2D6CYP1A2CYP2C19CYP3A4
SCHEMBL9353293 0.72 SLC6A3 (0.45) LMNACYP2D6CYP1A2CYP2C19CYP3A4
SCHEMBL1788903 0.71 ESR1 (0.39) LMNACYP1A2CYP2C19CYP3A4CYP2C9

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