SCHEMBL4754027

SCHEMBL4754027

CC(=O)CN1CCN(c2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ABCB1 P08183 1/20 0.49
MAPT P10636 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.39
TSPO P30536 3/20 0.39
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL4755278 0.90 MEN1 (0.54) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4753624 0.88 KMT2A (0.72) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4755315 0.86 MEN1 (0.53) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4090729 0.86 ABCB1 (0.52) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4090368 0.83 MEN1 (0.53) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4753636 0.83 KMT2A (0.55) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4092273 0.81 KMT2A (0.53) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4095317 0.81 KMT2A (0.54) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4089674 0.81 ABCB1 (0.49) MEN1KMT2AABCB1MAPTCYP1A2
SCHEMBL4085117 0.81 KMT2A (0.48) MEN1KMT2AABCB1MAPTCYP1A2

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
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed