SCHEMBL6512150

SCHEMBL6512150

CC(C)C[C@H](N)C(=O)NCC1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 6/20 0.50
RXFP1 Q9HBX9 1/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL17152522 1.00 MEN1 (0.52) MEN1KMT2AHPGDRXFP1USP2
SCHEMBL17152403 1.00 MEN1 (0.52) MEN1KMT2AHPGDRXFP1USP2
SCHEMBL17152615 0.96 MEN1 (0.51) MEN1KMT2AHPGDRXFP1USP2
SCHEMBL12312072 0.82 MEN1 (0.54) MEN1KMT2AHPGDRXFP1USP2
SCHEMBL12573346 0.82 MEN1 (0.54) MEN1KMT2AHPGDRXFP1USP2
SCHEMBL17152425 0.82 ALDH1A1 (0.39) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL12880452 0.82 MEN1 (0.59) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL14368076 0.82 MEN1 (0.59) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL8404634 0.82 MEN1 (0.59) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL18421342 0.81 MEN1 (0.40) MEN1KMT2AHPGDRXFP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO claimed
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed