SCHEMBL8296567

SCHEMBL8296567

Cc1ccc(N(CC(=O)O)C(=O)C2CCC([C@H](N)C(=O)N(C)C3CCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ HTT P42858 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ GPR88 Q9GZN0 2/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ DPP4 P27487 2/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ ABCC1 P33527 1/20 0.32

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
SCHEMBL8296765 0.92 HTT (0.47) HTTGPR88CCR5DPP4DPP9
SCHEMBL8295051 0.89 MLYCD (0.40) HTTPOLBGPR88CCR5DPP4
SCHEMBL8295053 0.88 HTT (0.37) HTTPOLBCCR5DPP4DPP9
SCHEMBL8296775 0.82 POLB (0.40) HTTPOLBRAB9A
SCHEMBL8295492 0.77 FASN (0.41) HTTCCR5DPP4DPP9F2
SCHEMBL8294266 0.73 F2 (0.41) CCR5DPP4DPP9F2
SCHEMBL6246057 0.73 ANPEP (0.35) CCR5DPP4DPP9F2
SCHEMBL6246060 0.73 ANPEP (0.35) CCR5DPP4DPP9F2
SCHEMBL2773909 0.71 CNR2 (0.45) CNR1CNR2HTTPOLBNR1H4
SCHEMBL8294261 0.71 ACHE (0.37) HTTCCR5DPP4DPP9F2

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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