SCHEMBL9426288

SCHEMBL9426288

COc1ccc(CCN(C)CCCC(C(N)=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
SMPD1 P17405 10/20 0.48
ALOX5 P09917 2/20 0.47
AOC3 Q16853 1/20 0.44
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
LTA4H P09960 1/20 0.43
ACHE P22303 1/20 0.43

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 0.89 SIGMAR1 (0.52) KCNH2EBPSIGMAR1
SCHEMBL9426658 0.87 SIGMAR1 (0.46) KCNH2EBPSIGMAR1
SCHEMBL9426759 0.87 SIGMAR1 (0.46) KCNH2EBPSIGMAR1
SCHEMBL9426893 0.87 SIGMAR1 (0.46) KCNH2EBPSIGMAR1
SCHEMBL9426230 0.87 SIGMAR1 (0.46) KCNH2EBPSIGMAR1
SCHEMBL9426668 0.87 CYP4F2 (0.42) KCNH2SMPD1EBPSIGMAR1LTA4H
SCHEMBL9426319 0.86 SIGMAR1 (0.52) KCNH2AOC3EBPSIGMAR1
SCHEMBL9426455 0.86 SIGMAR1 (0.45) KCNH2AOC3EBPSIGMAR1
SCHEMBL9426200 0.83 SIGMAR1 (0.50) KCNH2EBPSIGMAR1LTA4H
SCHEMBL9426919 0.81 KCNH2 (0.49) KCNH2EBPSIGMAR1LTA4HACHE

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