SCHEMBL8295492

SCHEMBL8295492

CN(C(=O)C1CCC([C@H](N)C(=O)N(C)C2CCC2)CC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 4/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ F2 P00734 2/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ OPRD1 P41143 1/20 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
SCHEMBL8296560 0.88 HSD17B1 (0.37) FASNCCR5CHRM2CHRM3HTT
SCHEMBL8296765 0.85 HTT (0.47) CCR5CHRM2CHRM3HTTATM
SCHEMBL8296818 0.82 SYK (0.38) FASNF2DPP4
SCHEMBL8296574 0.82 PKM (0.60) FASNCCR5ATMPKMDPP4
SCHEMBL8295064 0.82 KMT2A (0.38) CCR5ATMPKML3MBTL1F2
SCHEMBL8294266 0.82 F2 (0.41) CCR5CHRM2CHRM3ATMHPGD
SCHEMBL8296819 0.81 NR3C1 (0.36) ATMF2OPRD1
SCHEMBL8295897 0.80 ATM (0.52) LMNAHTTATMHPGDTSHR
SCHEMBL8296568 0.79 F2 (0.36) CCR5ATMF2
SCHEMBL6246057 0.79 ANPEP (0.35) CCR5LMNAATMHPGDTSHR

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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