SCHEMBL13840775

SCHEMBL13840775

C[C@H](Cc1cccc(CC(=O)NCc2cc(C(F)(F)F)ccc2F)c1)NC[C@H](O)c1cc(O)cc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.55
CHRM3 P20309 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL3914909 1.00 ADRB2 (0.55) ADRB2CHRM3LMNA
SCHEMBL13840753 0.89 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL3917118 0.89 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL4258384 0.88 ADRB2 (0.73) ADRB2
SCHEMBL4258388 0.88 ADRB2 (0.73) ADRB2
SCHEMBL4856380 0.86 ADRB2 (0.51) ADRB2CHRM3LMNA
SCHEMBL4856389 0.86 ADRB2 (0.51) ADRB2CHRM3LMNA
SCHEMBL3913280 0.86 ADRB2 (0.56) ADRB2CHRM3
SCHEMBL13840777 0.86 ADRB2 (0.56) ADRB2CHRM3
SCHEMBL3918729 0.84 ADRB2 (0.60) ADRB2

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