SCHEMBL6826220

SCHEMBL6826220

CC1(NC(=O)OC(C)(C)C)CCC(=NOCc2ccccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
GAA P10253 2/20 0.33
RET P07949 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
GHSR Q92847 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 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
SCHEMBL6826371 0.79 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL6825967 0.75 SYK (0.37) RAB9ASMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL7268161 0.71 GAA (0.45) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL12164511 0.70 NPC1 (0.49) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL6826385 0.68 SIGMAR1 (0.43) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL6820130 0.68 SYK (0.38) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL6701202 0.67 CYP3A4 (0.50) SMN1; SMN2CYP1A2GPR119RETKMT2A
SCHEMBL4678395 0.67 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL29611056 0.67 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL4923232 0.67 AKT1 (0.46) RAB9ANPC1GPR119GAAKMT2A

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-2004099185-A1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed