SCHEMBL8294261

SCHEMBL8294261

CC(=O)N(CC1CCC([C@H](N)C(=O)N(C)C2CCC2)CC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ ABCC1 P33527 2/20 0.36
▸ DPP4 P27487 3/20 0.36
▸ DPP9 Q86TI2 3/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ F2 P00734 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL8295061 0.81 TPSAB1 (0.40) ACHEATMDPP4DPP9F2
SCHEMBL8295064 0.81 KMT2A (0.38) KMT2AATMDPP4DPP9F2
SCHEMBL8296765 0.79 HTT (0.47) ACHEKMT2AATMDPP4DPP9
SCHEMBL8295905 0.78 F2 (0.41) ATMF2
SCHEMBL8294259 0.77 ATM (0.45) KMT2AATMABCC1DPP4DPP9
SCHEMBL8295904 0.77 PARP15 (0.43) F2
SCHEMBL8296872 0.77 F2 (0.42) KMT2AATMDPP4DPP9DPP7
SCHEMBL8295492 0.77 FASN (0.41) ATMDPP4DPP9F2CCR5
SCHEMBL8294265 0.76 OPRK1 (0.42) F2CCR5OPRK1
SCHEMBL8294266 0.76 F2 (0.41) KMT2AATMDPP4DPP9F2

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
WO-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 — — WO disclosed
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