SCHEMBL3785386

SCHEMBL3785386

CCc1cnc(N2CCC(C(=O)OC)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PTPN11 Q06124 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
TMPRSS15 P98073 1/20 0.42
NEK2 P51955 1/20 0.42

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
SCHEMBL3786436 0.88 KMT2A (0.55) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL20425053 0.86 KDM4E (0.52) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18255043 0.84 KDM4E (0.58) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3788594 0.84 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1HPGDGPR119
SCHEMBL12036196 0.84 KDM4E (0.46) KDM4ESMN1; SMN2KMT2AMEN1HPGD
SCHEMBL19454519 0.83 CYP46A1 (0.46) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL18255044 0.83 KDM4E (0.57) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3666825 0.83 KDM4E (0.57) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL12071831 0.83 HDAC6 (0.49) KDM4ESMN1; SMN2KMT2AGPR119LMNA
SCHEMBL18686086 0.82 KDM4E (0.51) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1

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
WO-2010088518-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-08-05 WO disclosed
WO-2010088518-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-08-05 WO disclosed