SCHEMBL8792006

SCHEMBL8792006

CC(Cc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)NCC(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.47
SERPINE1 P05121 1/20 0.47
ADRB1 P08588 8/20 0.44
ADRB3 P13945 8/20 0.44
CCR2 P41597 6/20 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
SCHEMBL8792490 0.94 ADRB2 (0.48) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL9038233 0.93 ADRB3 (0.51) ADRB2ADRB1ADRB3
SCHEMBL8791657 0.93 ADRB2 (0.46) ADRB2SERPINE1ADRB1ADRB3
SCHEMBL8791915 0.93 ADRB2 (0.46) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8791348 0.90 ADRB2 (0.49) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8790482 0.89 ADRB2 (0.46) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8791893 0.89 ADRB3 (0.49) ADRB2ADRB1ADRB3
SCHEMBL8791608 0.88 ADRB3 (0.43) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8793387 0.87 ADRB2 (0.46) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8791680 0.87 ADRB2 (0.46) ADRB2SERPINE1ADRB1ADRB3CCR2

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-0703911-B1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1997-07-02 EP disclosed
EP-0703911-A1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029290-A1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER INC. (US) 1994-12-22 WO disclosed