SCHEMBL5653933

SCHEMBL5653933

N#CC(O)C1(F)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
CRBN Q96SW2 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOB P27338 1/20 0.44
ACHE P22303 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
AR P10275 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL19743619 0.81 HPGD (0.55) HPGDHSD11B1
SCHEMBL4546537 0.79 HPGD (0.53) HPGDALDH1A1LMNA
SCHEMBL14525208 0.78 FASN (0.42) HPGDALDH1A1TP53
SCHEMBL17151131 0.74 HPGD (0.58) HPGDCHRM2CHRM3CRBNSIGMAR1
SCHEMBL21287275 0.74 BLM (0.54) HPGDCHRM2CHRM3CRBNSIGMAR1
SCHEMBL5356993 0.74 CA12 (0.57) HPGDCHRM2CHRM3CRBNSIGMAR1
SCHEMBL3977611 0.72 CHRM2 (0.55) HPGDCHRM2CHRM3CRBNSIGMAR1
SCHEMBL252026 0.71 HPGD (0.79) HPGDSIGMAR1ALDH1A1CA12CA1
SCHEMBL7129676 0.71 HPGD (0.79) HPGDSIGMAR1ALDH1A1CA12CA1
SCHEMBL1971597 0.71 CHRM2 (0.54) HPGDCHRM2CHRM3CRBNSIGMAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208603-B2 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2007-04-24 US claimed
EP-1358179-B1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PF MEDICAMENT (FR) 2006-05-10 EP claimed
US-20040116705-A1 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2004-06-17 US claimed
EP-1358179-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2003-11-05 EP claimed
WO-2002064585-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2002-08-22 WO claimed