SCHEMBL8790987

SCHEMBL8790987

CC(Cc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(NCS(=O)(=O)C(F)(F)F)c1)NCC(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.46
SERPINE1 P05121 1/20 0.42
ADRB3 P13945 10/20 0.41
ADRB1 P08588 9/20 0.41
CCR2 P41597 5/20 0.38

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
SCHEMBL8792020 0.94 ADRB2 (0.44) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8791862 0.94 ADRB3 (0.48) ADRB2ADRB3ADRB1
SCHEMBL8791149 0.94 ADRB2 (0.44) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8790482 0.93 ADRB2 (0.46) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8791521 0.92 ADRB2 (0.46) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8791999 0.91 ADRB2 (0.48) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8792490 0.90 ADRB2 (0.48) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8791830 0.90 ADRB2 (0.42) ADRB2SERPINE1ADRB3ADRB1CCR2
SCHEMBL8793375 0.88 ADRB3 (0.49) ADRB2ADRB3ADRB1
SCHEMBL8791326 0.88 ADRB2 (0.41) ADRB2SERPINE1ADRB3ADRB1CCR2

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