SCHEMBL13840748

SCHEMBL13840748

CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2)c1)NC[C@H](O)c1cc(O)cc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.62
CHRM3 P20309 1/20 0.43
ADRB1 P08588 1/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3917274 1.00 ADRB2 (0.62) ADRB2CHRM3ADRB1LMNACYP3A4
SCHEMBL3914436 0.93 ADRB2 (0.65) ADRB2CHRM3ADRB1KMT2A
SCHEMBL13840714 0.93 ADRB2 (0.65) ADRB2CHRM3ADRB1KMT2A
SCHEMBL3917030 0.90 ADRB2 (0.75) ADRB2CHRM3ADRB1
SCHEMBL13840728 0.90 ADRB2 (0.75) ADRB2CHRM3ADRB1
SCHEMBL3915171 0.90 ADRB2 (0.62) ADRB2CHRM3ADRB1LMNACYP3A4
SCHEMBL13840749 0.90 ADRB2 (0.62) ADRB2CHRM3ADRB1LMNACYP3A4
SCHEMBL13840710 0.89 ADRB2 (0.72) ADRB2CHRM3ADRB1
SCHEMBL3912520 0.89 ADRB2 (0.72) ADRB2CHRM3ADRB1
SCHEMBL13840802 0.88 ADRB2 (0.66) ADRB2CHRM3ADRB1KMT2A

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