SCHEMBL6509404

SCHEMBL6509404

CN(CCc1ccccc1)C(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.53
LTB4R Q15722 5/20 0.48
LTB4R2 Q9NPC1 5/20 0.48
CHRM3 P20309 2/20 0.45

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
SCHEMBL3916515 0.93 ADRB2 (0.51) ADRB2LTB4RLTB4R2CHRM3
SCHEMBL6511212 0.86 ADRB2 (0.57) ADRB2CHRM3
SCHEMBL6531711 0.85 ADRB2 (0.53) ADRB2CHRM3
SCHEMBL6506682 0.84 ADRB2 (0.59) ADRB2
SCHEMBL3916213 0.83 ADRB2 (0.52) ADRB2
SCHEMBL3922989 0.81 ADRB2 (0.47) ADRB2CHRM3
SCHEMBL6483991 0.81 ADRB2 (0.49) ADRB2LTB4RLTB4R2CHRM3
SCHEMBL6531425 0.81 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL6506204 0.81 ADRB2 (0.78) ADRB2CHRM3
SCHEMBL3924759 0.80 ADRB2 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed