SCHEMBL3977611

SCHEMBL3977611

O=C(c1ccccc1)N1CCC(F)(CO)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
CHRM3 P20309 1/20 0.55
HPGD P15428 1/20 0.54
HTR1A P08908 1/20 0.52
VNN1 O95497 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
BLM P54132 1/20 0.51
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 3/20 0.50
RIPK1 Q13546 2/20 0.50
TP53 P04637 1/20 0.50
FASN P49327 1/20 0.49
ACHE P22303 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL1971597 0.86 CHRM2 (0.54) CHRM2CHRM3HPGDHTR1ASIGMAR1
SCHEMBL17151131 0.80 HPGD (0.58) CHRM2CHRM3HPGDSIGMAR1BLM
SCHEMBL5654896 0.79 ALDH1A1 (0.57) CHRM2CHRM3HPGDHTR1ASIGMAR1
SCHEMBL6981118 0.78 HPGD (0.61) HPGDHTR1A
SCHEMBL14377678 0.77 CRBN (0.49) CHRM2CHRM3HPGDHTR1ASIGMAR1
SCHEMBL3976096 0.77 MGLL (0.47) CHRM2CHRM3HPGDHTR1ABLM
SCHEMBL7129676 0.76 HPGD (0.79) HPGDSIGMAR1BLMALDH1A1ACHE
SCHEMBL252026 0.76 HPGD (0.79) HPGDSIGMAR1BLMALDH1A1ACHE
SCHEMBL9928309 0.76 HPGD (0.61) CHRM2CHRM3HPGDSIGMAR1BLM
SCHEMBL31435878 0.76 HPGD (0.61) CHRM2CHRM3HPGDSIGMAR1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009060030-A1 HETEROARYL-SUBSTITUTED 2-PYRIDINYLMETHYLAMINE DERIVATIVES Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2009-05-14 WO disclosed
EP-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 EP disclosed
US-7208603-B2 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2007-04-24 US disclosed
EP-1358179-B1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PF MEDICAMENT (FR) 2006-05-10 EP disclosed
US-20040116705-A1 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2004-06-17 US disclosed
EP-1358179-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2003-11-05 EP disclosed
WO-2002064585-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2002-08-22 WO disclosed