SCHEMBL4756684

SCHEMBL4756684

CCCc1cccc(-c2c(F)cccc2Br)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ HTR7 P34969 4/20 0.39
▸ KAT6A Q92794 1/20 0.36
▸ SLC5A1 P13866 4/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL2842712 0.87 BCL2 (0.41) CTSSCTSKHTR7KAT6AKIF11
SCHEMBL7773926 0.77 HTR7 (0.41) CTSSCTSKHTR7KAT6AHTR1A
SCHEMBL12881753 0.76 HTR7 (0.53) CTSSCTSKHTR7KAT6AFFAR1
SCHEMBL196298 0.75 CTSS (0.51) CTSSCTSKHTR7KIF11
SCHEMBL30777855 0.75 CTSS (0.51) CTSSCTSKHTR7KIF11
SCHEMBL1865690 0.75 CSNK1E (0.43) —
SCHEMBL4302188 0.74 TAAR1 (0.42) TAAR1
SCHEMBL3571311 0.74 BRD4 (0.49) KAT6AFFAR1
SCHEMBL4746482 0.74 CTSS (0.39) CTSSCTSKHTR7SLC5A1HTR1A
SCHEMBL24005570 0.73 CTSS (0.50) CTSSCTSKHTR7

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-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 — — WO disclosed
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