SCHEMBL5749445

SCHEMBL5749445

O=C(O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
FAAH O00519 1/20 0.57
MGLL Q99685 1/20 0.55
TACR3 P29371 1/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
MAPK14 Q16539 3/20 0.55
HTR2B P41595 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL2636547 0.90 MEN1 (0.68) MEN1KMT2AFAAHMGLLTACR3
SCHEMBL28246648 0.84 MEN1 (0.52) MEN1KMT2AFAAHTACR3
SCHEMBL1008518 0.84 GRIN2D (0.59) MEN1KMT2AFAAH
SCHEMBL7238728 0.84 HTT (0.70) CYP2C9CYP2C19MAPK14HTR2BGAA
SCHEMBL15718800 0.83 MEN1 (0.51) MEN1KMT2AFAAHMGLLTACR3
SCHEMBL5931753 0.83 TACR3 (0.56) MEN1KMT2AFAAHTACR3CYP2C9
SCHEMBL4959434 0.83 ALDH1A1 (0.59) MEN1KMT2AFAAHMGLLCYP2C9
SCHEMBL5169485 0.83 FAAH (0.63) FAAHCYP2C9CYP2C19MAPK14HTR2B
SCHEMBL2925616 0.83 MEN1 (0.60) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL27779318 0.83 MEN1 (0.51) MEN1KMT2AFAAHCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720872-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090347-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed