SCHEMBL8675743

SCHEMBL8675743

O=C(O)N1CC=C(C#Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.49
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8672609 0.88 GRM5 (0.47) GRM5
SCHEMBL28811006 0.88 GRM5 (0.47) GRM5
SCHEMBL14995149 0.81 GRM5 (0.70) GRM5
SCHEMBL2892482 0.79 GRM5 (0.43) GRM5MEN1KMT2A
SCHEMBL2285672 0.79 GRM5 (0.42) GRM5
SCHEMBL2290995 0.76 GRM5 (0.44) GRM5MEN1KMT2A
SCHEMBL15004308 0.76 GRM5 (0.44) GRM5KMT2A
SCHEMBL5090735 0.76 GRM5 (0.43) GRM5
SCHEMBL4536276 0.76 GRM5 (0.40) GRM5
SCHEMBL4048946 0.76 GRM5 (0.42) GRM5

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-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed