SCHEMBL6181098

SCHEMBL6181098

COc1ccc([C@@H]2CCCN2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MKNK1 Q9BUB5 1/20 0.48
ADRA2C P18825 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GID4 Q8IVV7 1/20 0.44
MAOA P21397 3/20 0.43
KDM1A O60341 2/20 0.43
MAOB P27338 2/20 0.43
KCNH2 Q12809 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRM2 P08172 3/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42

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
SCHEMBL31494195 1.00 MEN1 (0.59) MEN1KMT2AMKNK1ADRA2CCHRNB2
SCHEMBL164122 1.00 MEN1 (0.59) MEN1KMT2AMKNK1ADRA2CCHRNB2
SCHEMBL11508634 0.95 MEN1 (0.55) MEN1KMT2AMKNK1ADRA2CCHRNB2
SCHEMBL3348073 0.95 MEN1 (0.54) MEN1KMT2AMKNK1ADRA2CCHRNB2
Hydrochloric Acid SCHEMBL11509626 0.93 MEN1 (0.54) MEN1KMT2AMKNK1ADRA2CCHRNB2
SCHEMBL8542490 0.93 MEN1 (0.53) MEN1KMT2AMKNK1ADRA2CCHRNB2
SCHEMBL4599631 0.93 MEN1 (0.53) MEN1KMT2AMKNK1ADRA2CCHRNB2
SCHEMBL12536772 0.90 MEN1 (0.50) MEN1KMT2AMKNK1ADRA2CCHRNB2
SCHEMBL16610729 0.81 MEN1 (0.55) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL21427 0.81 NQO1 (0.47) MEN1KMT2AMKNK1CHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed