SCHEMBL5236419

SCHEMBL5236419

CNC1(CC=O)CN(c2ccc(F)c(Cl)c2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.39
MMP2 P08253 1/20 0.39
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
MGLL Q99685 1/20 0.36
MMP13 P45452 1/20 0.36
RPS6KB1 P23443 1/20 0.36
PHGDH O43175 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY5R Q15761 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5235809 0.91 MAPT (0.44) ADAMTS5MMP2KDM4EALDH1A1MAPT
SCHEMBL5239098 0.87 MEN1 (0.39) ADAMTS5ALDH1A1MAPTKMT2A
SCHEMBL5236743 0.86 ALDH1A1 (0.45) KDM4EALDH1A1MAPTMGLLKMT2A
SCHEMBL5231422 0.85 NOTUM (0.46) MAPTPHGDHKMT2A
SCHEMBL5232294 0.85 ALDH1A1 (0.39) KDM4EALDH1A1MAPTCA1CA2
SCHEMBL5235446 0.84 ALDH1A1 (0.37) ADAMTS5ALDH1A1MAPTKMT2A
SCHEMBL5232239 0.83 SCD (0.38) ADAMTS5MMP2SCN9AKDM4EALDH1A1
SCHEMBL5233364 0.83 MAPT (0.39) SCN9AALDH1A1MAPTKMT2A
SCHEMBL5234847 0.82 KMT2A (0.40) KDM4EALDH1A1MAPTCA1CA2
SCHEMBL5238192 0.81 CYP2C19 (0.37) ALDH1A1MAPTKMT2A

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