SCHEMBL8294259

SCHEMBL8294259

CN(C(=O)[C@@H](N)C1CCC(CNc2ccccc2)CC1)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.45
▸ CRHR1 P34998 2/20 0.39
▸ F2 P00734 4/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ ABCC1 P33527 2/20 0.36
▸ CCR5 P51681 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ VCP P55072 2/20 0.35

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
SCHEMBL8296794 0.84 SMN1; SMN2 (0.47) KMT2A
SCHEMBL8294283 0.84 EPHX2 (0.54) ATMF2KMT2AEPHX2
SCHEMBL8294277 0.82 GBA1 (0.55) F2KMT2A
SCHEMBL8296749 0.81 ABCC1 (0.42) ATMF2KMT2AABCC1
SCHEMBL8295897 0.80 ATM (0.52) ATMKMT2A
SCHEMBL8295905 0.80 F2 (0.41) ATMF2
SCHEMBL8295904 0.79 PARP15 (0.43) F2
SCHEMBL8296872 0.79 F2 (0.42) ATMF2KMT2ADPP4DPP9
SCHEMBL8295463 0.79 CA2 (0.42) —
SCHEMBL8294265 0.78 OPRK1 (0.42) F2CCR5EPHX2

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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