SCHEMBL8314558

SCHEMBL8314558

CCCCOc1ccc(CN2CCC(N3CCC(C4(c5ccc(S(=O)(=O)c6ccc(O)c(O)c6)cc5)OCCO4)CC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.55

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
SCHEMBL8315643 0.93 CHRM2 (0.52) CHRM2
SCHEMBL8314516 0.82 CHRM2 (0.52) CHRM2
SCHEMBL8319668 0.80 CHRM2 (0.52) CHRM2
SCHEMBL8312932 0.79 CHRM2 (0.55) CHRM2
SCHEMBL8313975 0.75 CHRM2 (0.49) CHRM2
SCHEMBL8314793 0.73 HRH3 (0.55) CHRM2
SCHEMBL8313001 0.73 MEN1 (0.45) CHRM2
SCHEMBL8314512 0.72 CHRM2 (0.47) CHRM2
SCHEMBL8315477 0.70 ALDH1A1 (0.51) CHRM2
SCHEMBL8097555 0.63 RAB9A (1.00)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004066960-A2 COMBINATION OF H1, H3 AND H4 RECEPTOR ANTAGONISTS FOR TREATMENT OF ALLERGIC AND NON-ALLERGIC PULMONARY INFLAMMATION, CONGESTION AND ALLERGIC RHINITIS SCHERING CORPORATION (US) 2004-08-12 WO disclosed