SCHEMBL1581685

SCHEMBL1581685

O=C(O)N1CCC(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.43
NOTUM Q6P988 1/20 0.43
CYP3A4 P08684 1/20 0.42
MGLL Q99685 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL25260635 0.89 NOTUM (0.42) GRM5NOTUMCYP3A4HTR1AHTR2A
SCHEMBL5015153 0.84 GRM5 (0.50) GRM5MEN1KMT2A
SCHEMBL1581839 0.84 GRM5 (0.40) GRM5MGLL
SCHEMBL1581943 0.83 FFAR1 (0.46) GRM5NOTUMMGLLMEN1KMT2A
SCHEMBL21258034 0.81 KCNH2 (0.47) GRM5
SCHEMBL1581531 0.78 NPC1 (0.43) GRM5
SCHEMBL5442730 0.78 FAAH (0.53) GRM5CYP3A4MEN1KMT2A
SCHEMBL4661655 0.76 GRM5 (0.43) GRM5NOTUMCYP3A4HTR1AHTR2A
SCHEMBL4660532 0.76 GRM5 (0.43) GRM5NOTUMCYP3A4HTR1AHTR2A
SCHEMBL27655173 0.75 GRM5 (0.40) GRM5CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 EP disclosed
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