SCHEMBL8296775

SCHEMBL8296775

CN(C(=O)[C@@H](N)C1CCC(C(=O)N(CC(=O)O)c2cccc(C(F)(F)F)c2)CC1)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HDAC1 Q13547 9/20 0.38
▸ HDAC8 Q9BY41 9/20 0.38
▸ HDAC6 Q9UBN7 9/20 0.38
▸ HDAC5 Q9UQL6 6/20 0.37
▸ EPHX1 P07099 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ UTS2R Q9UKP6 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ TRPV4 Q9HBA0 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
SCHEMBL8295051 0.89 MLYCD (0.40) POLBRAB9AHTT
SCHEMBL8295053 0.88 HTT (0.37) POLBRAB9AKMT2AGAAHTT
SCHEMBL8296765 0.88 HTT (0.47) KMT2AHTT
SCHEMBL8296567 0.82 CNR1 (0.40) POLBRAB9AHTT
SCHEMBL8295492 0.76 FASN (0.41) HTT
SCHEMBL8296560 0.74 HSD17B1 (0.37) POLBRAB9AEPHX1KMT2AHTT
SCHEMBL2473498 0.72 MLYCD (0.45) HDAC1HDAC8HDAC6EPHX1MEN1
SCHEMBL2050355 0.72 MLYCD (0.45) HDAC1HDAC8HDAC6EPHX1MEN1
SCHEMBL8295896 0.71 EPHX2 (0.62) POLBRAB9AMEN1KMT2AMAPT
SCHEMBL8294266 0.71 F2 (0.41) KMT2AALDH1A1

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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