SCHEMBL28847209

SCHEMBL28847209

CC(CN)C1CCCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4843010 0.82 SHBG (0.39) DPP4DPP7LMNAEPHX1CYP2C9
SCHEMBL21245994 0.82 SHBG (0.39) DPP4DPP7LMNAEPHX1CYP2C9
SCHEMBL24920003 0.82 SHBG (0.39) DPP4DPP7LMNAEPHX1CYP2C9
SCHEMBL936012 0.80
SCHEMBL13494936 0.78 TP53 (0.59) DPP4DPP7TP53LMNAKDM4E
SCHEMBL4843531 0.78 SHBG (0.41) DPP4DPP7TP53LMNAEPHX1
SCHEMBL5339146 0.77 DPP4 (0.36) DPP4DPP7
SCHEMBL14588833 0.76 DPP4 (0.43) DPP4DPP7LMNACYP2C9
SCHEMBL24126295 0.76 DPP4 (0.43) DPP4DPP7LMNACYP2C9
SCHEMBL20696926 0.76 DPP4 (0.43) DPP4DPP7LMNACYP2C9

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
CN-107207476-A Indoles and 7-azaindole derivatives and its for the purposes in neurodegenerative disorders 默克专利有限公司 2017-09-26 CN disclosed