SCHEMBL7501015

SCHEMBL7501015

CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(CN)OC(=O)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
DDB1 Q16531 3/20 0.42
CRBN Q96SW2 3/20 0.42
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
DPP4 P27487 1/20 0.38
RECQL P46063 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
NR1H2 P55055 1/20 0.37
STS P08842 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL363474 0.80 GABRP (0.41) MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL16054755 0.78 GABRP (0.39) MAPTKDM4EALDH1A1
SCHEMBL5788904 0.75 KDM4E (0.48) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL31028 0.75 USP2 (0.56) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL27669441 0.75 USP2 (0.56) MAPTKDM4ETHRBDDB1CRBN
Ammonia Solution, Strong SCHEMBL27841683 0.74 USP2 (0.55) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL7819063 0.73 MAPT (0.52) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL22169212 0.73 USP2 (0.39) HPGDNR1H2MAPK1
SCHEMBL661356 0.73 MAPT (0.38) MAPTKDM4E
SCHEMBL659836 0.73 MAPT (0.38) MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed