SCHEMBL3987956

SCHEMBL3987956

O=C(CC1CCCCC1)N1CC[CH]CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NAMPT P43490 3/20 0.44
FAAH O00519 1/20 0.43
CNR2 P34972 1/20 0.43
HSD11B1 P28845 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
TP53 P04637 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
EPHX1 P07099 1/20 0.39
DPP4 P27487 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 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
SCHEMBL12398 0.84 KDM4E (0.51) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL3700457 0.84 KDM4E (0.51) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL3698852 0.84 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10NAMPTFAAH
SCHEMBL3706069 0.84 KDM4E (0.51) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL4191524 0.82 SMYD3 (0.45) NAMPTTPSAB1TPSD1TPSG1
SCHEMBL3704195 0.82 NAMPT (0.50) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL4206159 0.80 KDM1A (0.47) KDM4EALDH1A1HSD17B10TPSAB1TPSD1
SCHEMBL4202834 0.80 KDM1A (0.47) KDM4EALDH1A1HSD17B10TPSAB1TPSD1
SCHEMBL3707477 0.80 NAMPT (0.49) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL3704706 0.78 NAMPT (0.55) KDM4EALDH1A1HSD17B10NAMPTTPSAB1

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-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed