SCHEMBL5244334

SCHEMBL5244334

CCN(CC)C(=O)N(C1CCCCC1)C1CC2CCC(C1)N2C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3890577 0.82 CHRM1 (0.51)
SCHEMBL10778320 0.81 ADH1A (0.45) L3MBTL1ADH1CADH1AMEN1ALDH1A1
SCHEMBL5195333 0.78 MAPT (0.39) L3MBTL1ADH1CADH1AMEN1ALDH1A1
SCHEMBL5197653 0.78 MAPT (0.39) L3MBTL1ADH1CADH1AMEN1ALDH1A1
SCHEMBL4707858 0.76 AVPR1A (0.39) USP2
SCHEMBL3891941 0.75 OPRM1 (0.43) L3MBTL1ADH1CADH1AOPRM1OPRD1
SCHEMBL5459487 0.72 SLC6A4 (0.40) L3MBTL1ADH1CADH1AOPRM1OPRD1
SCHEMBL5449617 0.72 SLC6A4 (0.40) L3MBTL1ADH1CADH1AOPRM1OPRD1
SCHEMBL11529348 0.66 ADH1A (0.41) L3MBTL1ADH1CADH1AMEN1ALDH1A1
SCHEMBL31231682 0.66 ALDH1A1 (0.36) MEN1ALDH1A1LMNAKMT2ANPSR1

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-1773829-A1 AMINO-TROPANE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021657-A1 AMINO-TROPANE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed