SCHEMBL13840735

SCHEMBL13840735

CC(C)(Cc1cccc(CC(=O)NCCc2ccc(-c3ccccc3)cc2)c1)NC[C@H](O)c1cc(O)cc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.58
▸ CHRM3 P20309 3/20 0.49
▸ ADRB1 P08588 2/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44

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
SCHEMBL3918557 1.00 ADRB2 (0.58) ADRB2CHRM3ADRB1ADRB3CA1
SCHEMBL3915421 0.95 ADRB2 (0.62) ADRB2CHRM3
SCHEMBL13840734 0.95 ADRB2 (0.62) ADRB2CHRM3
SCHEMBL13840733 0.90 ADRB2 (0.55) ADRB2CHRM3CA1CA2HSD17B2
SCHEMBL3915467 0.90 ADRB2 (0.55) ADRB2CHRM3CA1CA2HSD17B2
SCHEMBL3922097 0.89 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL13840728 0.87 ADRB2 (0.75) ADRB2CHRM3ADRB1
SCHEMBL3917030 0.87 ADRB2 (0.75) ADRB2CHRM3ADRB1
SCHEMBL3925018 0.86 ADRB2 (0.60) ADRB2CHRM3ADRB1
SCHEMBL3917151 0.86 ADRB2 (0.62) ADRB2CHRM3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 — — EP disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 — — US disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 — — US disclosed
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