SCHEMBL5696209

SCHEMBL5696209

N#CN1CCCC1CCCCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
CTSL P07711 2/20 0.40
CTSK P43235 2/20 0.40
DPP4 P27487 4/20 0.38
DPP7 Q9UHL4 4/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 2/20 0.38
CTSB P07858 1/20 0.37
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.32
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FAP Q12884 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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 0.81 S1PR1 (0.42) CTSLCTSKDPP4CTSBS1PR1
SCHEMBL4554930 0.74 CTSL (0.38) CTSLCTSKCTSBCYP1A2S1PR1
SCHEMBL7242446 0.67 CTSL (0.40) SIGMAR1CTSLCTSKCTSBCYP1A2
SCHEMBL4153144 0.67 CTSL (0.31) CTSLCTSKPOLB
SCHEMBL1966053 0.64 CYP1A2 (0.50) CYP1A2
SCHEMBL1375288 0.64 CYP1A2 (0.50) CYP1A2
SCHEMBL4080897 0.64
SCHEMBL6512644 0.63 S1PR1 (0.46) POLBMEN1MAPTKMT2AS1PR1
SCHEMBL31750308 0.63 CTSL (0.38) CTSLCTSKCTSB
SCHEMBL4166319 0.62 DPP7 (0.33) DPP4DPP7DPP8CYP1A2

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-1162969-B1 use of dipeptidyl peptidase IV inhibitors fOR IMPROVING FERTILITY FERRING BV (NL) 2006-06-07 EP claimed