SCHEMBL8938404

SCHEMBL8938404

NS(=O)(=O)Nc1ccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
HRH3 Q9Y5N1 6/20 0.43
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL8938245 0.90 KCNH2 (0.46) KCNH2HRH3MEN1LMNACYP2D6
SCHEMBL8938519 0.89 KCNH2 (0.45) KCNH2HRH3MEN1LMNACYP2D6
SCHEMBL8938226 0.83 HRH3 (0.40) KCNH2HRH3CYP2D6SLC6A2
SCHEMBL8938621 0.83 SIGMAR1 (0.41) KCNH2HRH3CYP2D6SLC6A2
SCHEMBL8938356 0.82 CCR5 (0.46) KCNH2HRH3MEN1LMNAKMT2A
SCHEMBL8938361 0.81 GBA1 (0.41) KCNH2HRH3CYP2D6SLC6A2
SCHEMBL8938514 0.81 HRH3 (0.42) HRH3
SCHEMBL8938422 0.81 OPRD1 (0.44) HRH3
SCHEMBL8938317 0.80 HRH3 (0.40) KCNH2HRH3CYP2D6SLC6A2
SCHEMBL8938332 0.80 SLC2A1 (0.43) KCNH2HRH3MEN1LMNACYP2D6

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