SCHEMBL5495528

SCHEMBL5495528

CON(C(=O)c1cc(Nc2cc(F)cc(N3CCCCC3)c2)cnc1C)c1ccc(NCC(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.35
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
HCRTR1 O43613 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GRM5 P41594 1/20 0.30
CRHR1 P34998 1/20 0.30
SLC6A9 P48067 2/20 0.30
SLC6A5 Q9Y345 2/20 0.30
KMO O15229 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30

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
SCHEMBL4551762 0.99 RPS6KA3 (0.35) RPS6KA3HCAR3HCAR2HRH4HCRTR1
SCHEMBL5490098 0.92 MAPT (0.32) RXFP1GRM5SLC6A9SLC6A5
SCHEMBL5495529 0.90 MAPK14 (0.39)
SCHEMBL5490026 0.90 CRHR1 (0.42) HCRTR1CRHR1SLC6A9SLC6A5
SCHEMBL4551763 0.89 MAPK14 (0.39) RPS6KA3
SCHEMBL5494096 0.89 CRHR1 (0.42) HCRTR1CRHR1
SCHEMBL4551887 0.85 MAPK3 (0.35) SLC6A9SLC6A5
SCHEMBL4541431 0.84 MAPT (0.41) RPS6KA3HCAR3HCAR2CRHR1
SCHEMBL4416933 0.83 MAPK14 (0.43)
SCHEMBL4552349 0.83 MAPT (0.40) RPS6KA3HCAR3HCAR2CRHR1

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed