SCHEMBL3915923

SCHEMBL3915923

CC(C)(C)OC(=O)N1CC=CC1C(=O)I

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.37
CTSK P43235 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NPC1 O15118 1/20 0.34
ACE P12821 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL25175295 0.85 ACE (0.47) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL10137609 0.85 PREP (0.38) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL31375026 0.85 PREP (0.38) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL629586 0.85 ACE (0.47) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL629585 0.85 ACE (0.47) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL1022805 0.84 PIN1 (0.42) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL2559556 0.83 PTPN1 (0.39) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL3546343 0.83 PTPN1 (0.39) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL3546340 0.83 PTPN1 (0.39) PREPCTSKCHRM2CHRM1CHRM3
SCHEMBL6940371 0.81 PTPN1 (0.40) PREPCTSKCHRM2CHRM1CHRM3

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-2029571-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-04 EP disclosed
WO-2007128460-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO disclosed