SCHEMBL8791979

SCHEMBL8791979

CC(Cc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(NCS(=O)(=O)CC(F)(F)F)cc1)NCC(O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.45
CCR9 P51686 1/20 0.40
ADRB3 P13945 15/20 0.39
ADRB1 P08588 14/20 0.39
SERPINE1 P05121 1/20 0.38
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL8792942 0.94 ADRB2 (0.44) ADRB2CCR9ADRB3ADRB1SERPINE1
SCHEMBL8791415 0.93 ADRB2 (0.46) ADRB2ADRB3ADRB1SERPINE1
SCHEMBL8791814 0.92 ADRB2 (0.45) ADRB2CCR9ADRB3ADRB1SERPINE1
SCHEMBL8793207 0.92 ADRB3 (0.49) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL8792546 0.92 ADRB2 (0.45) ADRB2ADRB3ADRB1SERPINE1
SCHEMBL8792124 0.91 ADRB2 (0.47) ADRB2ADRB3ADRB1SERPINE1ADRA1D
SCHEMBL8791657 0.88 ADRB2 (0.46) ADRB2CCR9ADRB3ADRB1SERPINE1
SCHEMBL8791521 0.88 ADRB2 (0.46) ADRB2ADRB3ADRB1SERPINE1
SCHEMBL8792464 0.88 ADRB3 (0.48) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL8791149 0.87 ADRB2 (0.44) ADRB2CCR9ADRB3ADRB1SERPINE1

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