SCHEMBL9426455

SCHEMBL9426455

CN(CCCC(C(N)=O)(c1ccccc1)c1ccccc1)CCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
EBP Q15125 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
KCNN4 O15554 2/20 0.43
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
FDPS P14324 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
AOC3 Q16853 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9426585 0.91 SIGMAR1 (0.52) SIGMAR1EBPCHRM2CHRM1CHRM3
SCHEMBL9426893 0.89 SIGMAR1 (0.46) SIGMAR1EBPCHRM2CHRM1CHRM3
SCHEMBL9426230 0.89 SIGMAR1 (0.46) SIGMAR1EBPCHRM2CHRM1CHRM3
SCHEMBL9426658 0.89 SIGMAR1 (0.46) SIGMAR1EBPCHRM2CHRM1CHRM3
SCHEMBL9426759 0.89 SIGMAR1 (0.46) SIGMAR1EBPCHRM2CHRM1CHRM3
SCHEMBL9426319 0.88 SIGMAR1 (0.52) SIGMAR1EBPCHRM2CHRM1CHRM3
SCHEMBL9426288 0.86 KCNH2 (0.51) SIGMAR1EBPKCNH2AOC3
SCHEMBL9426200 0.85 SIGMAR1 (0.50) SIGMAR1EBPCHRM2CHRM1CHRM3
SCHEMBL9426668 0.84 CYP4F2 (0.42) SIGMAR1EBPCHRM2CHRM1CHRM3
SCHEMBL9426919 0.82 KCNH2 (0.49) SIGMAR1EBPCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302595-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-12 US disclosed
US-5219871-A MUSCARINIC RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-06-15 US disclosed
EP-0364123-B1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-06-12 EP disclosed
EP-0364123-A1 Muscarinic receptor antagonists Pfizer Limited (GB) 1990-04-18 EP disclosed