SCHEMBL8790482

SCHEMBL8790482

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.46
SERPINE1 P05121 1/20 0.44
ADRB1 P08588 12/20 0.43
ADRB3 P13945 12/20 0.43
CCR2 P41597 3/20 0.40

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
SCHEMBL8793375 0.93 ADRB3 (0.49) ADRB2ADRB1ADRB3
SCHEMBL8790987 0.93 ADRB2 (0.46) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8790660 0.93 ADRB2 (0.45) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8791814 0.93 ADRB2 (0.45) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8791415 0.92 ADRB2 (0.46) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8791244 0.91 ADRB2 (0.48) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8792061 0.89 ADRB3 (0.42) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8792006 0.89 ADRB2 (0.47) ADRB2SERPINE1ADRB1ADRB3CCR2
SCHEMBL8791862 0.89 ADRB3 (0.48) ADRB2ADRB1ADRB3
SCHEMBL8792628 0.87 ADRB2 (0.39) 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 1 patent. 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