SCHEMBL4554930

SCHEMBL4554930

N#CN1CCCCC1CCCO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.38
CTSK P43235 4/20 0.38
CTSB P07858 3/20 0.38
CTSS P25774 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
CTSH P09668 1/20 0.31
CYP19A1 P11511 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
CYP1A2 P05177 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
SCHEMBL624673 0.75 S1PR1 (0.42) CTSLCTSKCTSBS1PR1S1PR3
SCHEMBL5696209 0.74 SIGMAR1 (0.40) CTSLCTSKCTSBS1PR1S1PR3
SCHEMBL13183150 0.73 CTSL (0.38) CTSLCTSKCTSBCTSSCTSH
SCHEMBL25764965 0.72 CYP1A2 (0.32) S1PR1S1PR3S1PR5CYP1A2
SCHEMBL12535509 0.72 CYP1A2 (0.58) S1PR1S1PR3S1PR5CYP1A2
SCHEMBL11647952 0.70 S1PR1 (0.47) S1PR1S1PR3S1PR5CYP1A2
SCHEMBL14941314 0.70 LMNA (0.36) CYP1A2
SCHEMBL1103885 0.68 GPR119 (0.48) CTSLCTSKCTSBCTSSGPR119
SCHEMBL7242446 0.68 CTSL (0.40) CTSLCTSKCTSBCTSSCYP1A2
SCHEMBL7013626 0.68 CTSL (0.40) CTSLCTSKCTSBCTSSCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO disclosed