SCHEMBL8669151

SCHEMBL8669151

CCCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KCNA5 P22460 1/20 0.55
BCHE P06276 7/20 0.54
ACHE P22303 2/20 0.53
ALOX15 P16050 1/20 0.53
ACE P12821 2/20 0.52
NMBR P28336 2/20 0.52
MMP1 P03956 2/20 0.51
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51

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
SCHEMBL3848569 0.92 MEN1 (0.63) MEN1KMT2AKCNA5BCHEALOX15
SCHEMBL3848966 0.92 MEN1 (0.63) MEN1KMT2AKCNA5BCHEALOX15
SCHEMBL3848969 0.92 MEN1 (0.63) MEN1KMT2AKCNA5BCHEALOX15
SCHEMBL8384762 0.91 MEN1 (0.62) MEN1KMT2AKCNA5BCHEACHE
SCHEMBL8384759 0.91 MEN1 (0.62) MEN1KMT2AKCNA5BCHEACHE
SCHEMBL6245120 0.91 MEN1 (0.62) MEN1KMT2AKCNA5BCHEACHE
SCHEMBL6244061 0.91 MEN1 (0.62) MEN1KMT2AKCNA5BCHEACHE
SCHEMBL6244059 0.91 MEN1 (0.62) MEN1KMT2AKCNA5BCHEACHE
SCHEMBL6245123 0.91 MEN1 (0.62) MEN1KMT2AKCNA5BCHEACHE
SCHEMBL28377319 0.91 MEN1 (0.62) MEN1KMT2AKCNA5BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708771-B1 BENZYLOXYQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS PFIZER (US) 1998-10-07 EP disclosed