SCHEMBL6206225

SCHEMBL6206225

C[C@H]1CC[C@H](NC(=O)c2ccco2)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
HPGD P15428 1/20 0.72
L3MBTL1 Q9Y468 2/20 0.60
KMT2A Q03164 4/20 0.56
NPC1 O15118 1/20 0.56
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL6206231 1.00 ALDH1A1 (0.72) ALDH1A1HPGDL3MBTL1KMT2ANPC1
SCHEMBL4167189 0.92 ALDH1A1 (0.84) ALDH1A1HPGDKMT2ANPC1KDM4E
SCHEMBL14934861 0.84 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1KDM4E
SCHEMBL8062381 0.84 ALDH1A1 (1.00) ALDH1A1HPGDL3MBTL1NPC1KDM4E
SCHEMBL1844542 0.81 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1KDM4E
SCHEMBL28404651 0.81 ALDH1A1 (0.72) ALDH1A1HPGDL3MBTL1KMT2ANPC1
SCHEMBL28407968 0.80 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ANPC1KDM4E
SCHEMBL28414245 0.80 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ANPC1KDM4E
SCHEMBL10515142 0.79 ALDH1A1 (0.63) ALDH1A1HPGDL3MBTL1KMT2ANPC1
SCHEMBL28409708 0.79 ALDH1A1 (0.63) ALDH1A1HPGDKMT2ANPC1KDM4E

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-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed