SCHEMBL8294266

SCHEMBL8294266

CN(C(=O)C(N)C1CCC(C(=O)Cc2ccccc2)CC1)C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.41
▸ CCR5 P51681 4/20 0.40
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL8296594 0.84 EPHX2 (0.53) F2ALDH1A1SIGMAR1DPP4KMT2A
SCHEMBL8296587 0.83 ALDH1A1 (0.59) F2CCR5HPGDALDH1A1KMT2A
SCHEMBL8295492 0.82 FASN (0.41) F2CCR5HPGDATMCHRM2
SCHEMBL8295905 0.81 F2 (0.41) F2ATMKCNH2L3MBTL1
SCHEMBL8296830 0.80 TRPM8 (0.44) F2ALDH1A1SIGMAR1DPP4KMT2A
SCHEMBL8296765 0.80 HTT (0.47) F2CCR5HPGDATMCHRM2
SCHEMBL8294265 0.79 OPRK1 (0.42) F2CCR5L3MBTL1
SCHEMBL8295897 0.79 ATM (0.52) HPGDGLAATMTSHRKMT2A
SCHEMBL8295906 0.78 TRPM8 (0.41) F2DPP4KCNH2
SCHEMBL8296559 0.78 TRPM8 (0.41) F2DPP4KCNH2

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
Send feedback