SCHEMBL3403765

SCHEMBL3403765

COC1CN(C(=O)O)CCC1CO

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.34
GAA P10253 2/20 0.30
CCR3 P51677 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3279837 0.87 OPRK1 (0.35) OPRK1GAA
SCHEMBL3279842 0.87 OPRK1 (0.35) OPRK1GAA
SCHEMBL3279840 0.87 OPRK1 (0.35) OPRK1GAA
SCHEMBL21196260 0.86 OPRK1 (0.31) OPRK1
SCHEMBL16054309 0.86 OPRK1 (0.31) OPRK1
SCHEMBL16054312 0.86 OPRK1 (0.31) OPRK1
SCHEMBL17028497 0.84 OPRK1 (0.32) OPRK1GAA
SCHEMBL3025369 0.80 CYP46A1 (0.34) GAANPC1RAB9AALDH1A1
SCHEMBL1314601 0.80 CYP46A1 (0.34) GAANPC1RAB9AALDH1A1
SCHEMBL3025364 0.80 CYP46A1 (0.34) GAANPC1RAB9AALDH1A1

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-2252613-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM, LLC (BM) 2010-11-24 EP disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO disclosed