SCHEMBL7252129

SCHEMBL7252129

CC(C)CCc1cc[c]cc1CNCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39
SIGMAR1 Q99720 2/20 0.32
EBP Q15125 1/20 0.32
CXCR4 P61073 2/20 0.32

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
SCHEMBL7247983 0.81
SCHEMBL5111044 0.81
SCHEMBL7246152 0.81 KCNA5 (0.33)
SCHEMBL7245360 0.81 BCHE (0.36) KMT2ASIGMAR1
SCHEMBL7251009 0.81 HRH3 (0.31) MEN1KMT2A
SCHEMBL5110872 0.79
SCHEMBL5110718 0.79 MAOA (0.31)
SCHEMBL7244714 0.78 PABPC1 (0.38) MEN1CYP2C19KMT2ACYP2D6CYP2C9
SCHEMBL7243660 0.78 PABPC1 (0.35) MEN1CYP2C19KMT2ACYP2D6CYP2C9
SCHEMBL7252847 0.77 PABPC1 (0.40) MEN1CYP2C19KMT2ACYP2D6CYP2C9

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
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US disclosed