SCHEMBL8320340

SCHEMBL8320340

O=S(=O)(c1ccc(C2(C3CCN(C4CCNCC4)CC3)OCCO2)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.52

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
SCHEMBL8316237 0.82 CHRM2 (0.76) CHRM2
SCHEMBL8312932 0.81 CHRM2 (0.55) CHRM2
SCHEMBL4733567 0.62 DRD2 (0.42)
SCHEMBL5851728 0.62 SLC6A2 (0.35)
SCHEMBL30320261 0.62 SERPINE1 (0.64)
SCHEMBL1097599 0.62 SERPINE1 (0.64)
SCHEMBL30110766 0.62 SERPINE1 (0.64)
Hydrochloric Acid SCHEMBL10723779 0.61 SLC6A2 (0.34)
SCHEMBL5405007 0.60 KDM2B (0.43) CHRM2
SCHEMBL10037165 0.59 PKM (0.60)

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