SCHEMBL9313102

SCHEMBL9313102

C[C@@H]1C[C@H](OC2CCCCO2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.37
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
EPHX1 P07099 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 2/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9313107 1.00 GPR119 (0.37) GPR119USP2SMN1; SMN2RECQLEPHX1
SCHEMBL9313113 1.00 GPR119 (0.37) GPR119USP2SMN1; SMN2RECQLEPHX1
SCHEMBL376282 0.89 CHRM2 (0.34) USP2SMN1; SMN2RECQLEPHX1HSD17B10
SCHEMBL9312962 0.85 ATM (0.40) USP2SMN1; SMN2RECQLEPHX1HSD17B10
SCHEMBL10323879 0.85 ATM (0.38) USP2SMN1; SMN2RECQLEPHX1HSD17B10
SCHEMBL10325159 0.84 HSD17B10 (0.37) SMN1; SMN2EPHX1HSD17B10ALDH1A1
SCHEMBL10323472 0.81 ATM (0.36) USP2SMN1; SMN2RECQLEPHX1HSD17B10
SCHEMBL9311558 0.81 RECQL (0.50) GPR119USP2SMN1; SMN2RECQLEPHX1
SCHEMBL17314517 0.77 CHRM2 (0.41) GPR119USP2SMN1; SMN2RECQLEPHX1
SCHEMBL17314518 0.77 CHRM2 (0.41) GPR119USP2SMN1; SMN2RECQLEPHX1

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
US-5322852-A Antitumor, antiprotozoa agents CIBA-GEIGY CORP. (US) 1994-06-21 US disclosed
EP-0558443-A1 O-Piperidyl-(3/4)-hydroxylamines and O-piperidyl-(3/4)-alkyl-hydroxylamines and their use as ornithine decarboxylase inhibitors CIBA-GEIGY AG (CH) 1993-09-01 EP disclosed