SCHEMBL13525552

SCHEMBL13525552

CN1CC(C(=O)O)C(c2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
CHRM4 P08173 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL13525555 1.00 MEN1 (0.64) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL13127867 0.88 MEN1 (0.62) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL1267675 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL9137609 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL8783095 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL27405627 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1L3MBTL1GAA
Hydrochloric Acid SCHEMBL30114493 0.85 MEN1 (0.59) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2877536 0.85 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3
SCHEMBL8498107 0.85 SLC6A2 (0.61) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2877540 0.85 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3

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
US-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 US disclosed
US-7351711-B2 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-04-01 US disclosed