SCHEMBL5237586

SCHEMBL5237586

CNC1(CC=O)CN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
POLB P06746 1/20 0.40
DGAT1 O75907 6/20 0.38
MGLL Q99685 1/20 0.38
KCNH2 Q12809 6/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 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
SCHEMBL5238354 0.95 MAPT (0.40) KDM4EPOLBDGAT1MGLLKCNH2
SCHEMBL5233015 0.91 MGLL (0.42) DGAT1MGLLKCNH2CYP2C9CYP3A4
SCHEMBL5236774 0.89 CACNA1G (0.39) MAPT
SCHEMBL5234755 0.88 EGLN1 (0.39) DGAT1MGLLKCNH2CNR2
SCHEMBL5238848 0.87 EGLN1 (0.42) DGAT1CYP2C9CYP3A4ALDH1A1
SCHEMBL5236239 0.86 SMN1; SMN2 (0.41) KDM4EPOLBDGAT1MGLLKCNH2
SCHEMBL5237027 0.85 MGLL (0.44) DGAT1MGLLKCNH2CYP2C9CYP3A4
SCHEMBL5238953 0.83 TEK (0.37) MAPT
SCHEMBL5236758 0.83 EGLN1 (0.40) DGAT1MGLLKCNH2CNR2
SCHEMBL5233798 0.82 AKR1C3 (0.36) KDM4EPOLBSMN1; SMN2ALDH1A1

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