SCHEMBL5237336

SCHEMBL5237336

COc1ccccc1-c1ccc(N2CCCN(C(=O)O)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.54
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 1/20 0.47
USP2 O75604 1/20 0.45
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
MEN1 O00255 2/20 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
SCHEMBL5236322 0.89 EGLN1 (0.54) EGLN1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL5238882 0.83 EGLN1 (0.51) EGLN1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL5240826 0.82 EGLN1 (0.43) EGLN1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL5237599 0.81 EGLN1 (0.55) EGLN1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL5231436 0.79 CNR2 (0.51) EGLN1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL3442393 0.78 MGLL (0.58) ALDH1A1TSHRHTTKMT2ACKS1B
SCHEMBL31589961 0.77 EGLN1 (0.55) EGLN1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL5237235 0.76 MGLL (0.53) EGLN1KDM4ERAB9APOLBCNR2
SCHEMBL5236952 0.76 EGLN1 (0.46) EGLN1KMT2ANPC1RAB9ACNR2
SCHEMBL5238721 0.76 MCHR1 (0.50) CYP2C9CYP2C19CNR2CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed