SCHEMBL5230481

SCHEMBL5230481

CNC1(CC=O)CN(c2ccncc2)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
CYP3A4 P08684 5/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2C9 P11712 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL5238192 0.89 CYP2C19 (0.37) CYP3A4HIF1AALDH1A1CYP2C19CYP2C9
SCHEMBL5239788 0.87 MAPT (0.43) ALDH1A1CYP2C19CYP2C9MEN1KMT2A
SCHEMBL5232294 0.86 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL5237329 0.85 CA2 (0.40)
SCHEMBL5236555 0.85 USP2 (0.41) CYP3A4HIF1AALDH1A1CYP2C19CYP2C9
SCHEMBL5233074 0.84 L3MBTL1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL5234847 0.83 KMT2A (0.40) ALDH1A1MEN1KMT2A
SCHEMBL5233790 0.83 CA2 (0.38)
SCHEMBL5232377 0.81 SMN1; SMN2 (0.37) CYP3A4HIF1AALDH1A1CYP2C19CYP2C9
SCHEMBL5236354 0.81 CHRNB2 (0.38)

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