SCHEMBL6674995

SCHEMBL6674995

CC(C)(C)OC(=O)N1CCC(NCc2ccc3c(c2)NC(=O)CS3)C(C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
TACR1 P25103 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
EPHX2 P34913 1/20 0.37
ATM Q13315 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GFER P55789 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 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
SCHEMBL3250361 1.00 POLB (0.40) POLBALDH1A1LMNAKMT2ATRPV1
SCHEMBL5254332 0.79 POLB (0.44) POLBALDH1A1LMNAKMT2ATRPV1
SCHEMBL5254334 0.79 POLB (0.44) POLBALDH1A1LMNAKMT2ATRPV1
SCHEMBL3247575 0.78 POLB (0.42) POLBALDH1A1LMNAKMT2ATRPV1
SCHEMBL12321559 0.77 GPR119 (0.50) LMNATACR1GPR119
SCHEMBL16341485 0.77 GPR119 (0.50) LMNATACR1GPR119
SCHEMBL31363391 0.77 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL3247665 0.75 ATM (0.41) POLBALDH1A1LMNAKMT2ATRPV1
SCHEMBL6650739 0.75 ATM (0.41) POLBALDH1A1LMNAKMT2ATRPV1
SCHEMBL5255027 0.73 DPP4 (0.44) ALDH1A1LMNAKMT2ATRPV1HTT

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-1470125-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-10-27 EP disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed