SCHEMBL7714918

SCHEMBL7714918

CON(C)C(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA5A P35218 4/20 0.41
CA9 Q16790 4/20 0.41
CA5B Q9Y2D0 4/20 0.41
WNT3A P56704 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AXL P30530 1/20 0.40
CETP P11597 1/20 0.39

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
SCHEMBL1515761 0.83 AOC3 (0.54)
SCHEMBL4768334 0.82 KDM4E (0.53) FFAR1CTSLCTSBCTSSHRH3
SCHEMBL4688780 0.78 FFAR1 (0.60) FFAR1CTSLCTSBCTSSHRH3
SCHEMBL6670619 0.76 CTSL (0.43) FFAR1CTSLCTSBCTSSHRH3
SCHEMBL20200086 0.76 FFAR1 (0.54) FFAR1CTSLCTSBCTSSHRH3
SCHEMBL4084155 0.75 AGXT (0.48)
SCHEMBL1058423 0.75 CTBP2 (0.50) ALDH1A1
SCHEMBL361027 0.74 ALOX5 (0.53) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7463211 0.74 FFAR1 (0.50) FFAR1CTSLCTSBCTSSHRH3
SCHEMBL1515860 0.74 LMNA (0.43) SMN1; SMN2

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
US-6369077-B1 OSTEOPOROSIS, PERIODONTITIS, AND ARTHRITIS SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed