SCHEMBL4755935

SCHEMBL4755935

O=CCN1CCN(c2nc(-c3cccc(F)c3)nc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
LMNA P02545 3/20 0.56
ACHE P22303 1/20 0.56
ABCG2 Q9UNQ0 6/20 0.53
GBA1 P04062 2/20 0.52
ACP1 P24666 2/20 0.51
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 4/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL4755891 0.87 LMNA (0.53) MAPTLMNAACHEABCG2GBA1
SCHEMBL4755906 0.84 HIF1A (0.56) MAPTLMNAACHEABCG2GBA1
SCHEMBL4755807 0.81 GBA1 (0.63) MAPTLMNAACHEABCG2GBA1
SCHEMBL4755874 0.81 HIF1A (0.67) MAPTLMNAACHEGBA1CYP1A2
SCHEMBL4097902 0.80 GBA1 (0.61) MAPTABCG2GBA1ACP1CYP1A2
SCHEMBL4755806 0.79 RAB9A (0.69) MAPTLMNAACHEABCG2GBA1
SCHEMBL4085133 0.78 MEN1 (0.64) MAPTLMNAABCG2GBA1CYP1A2
SCHEMBL4754102 0.77 KMT2A (0.72) MAPTLMNAACHEABCG2GBA1
SCHEMBL4753586 0.76 KMT2A (0.56) MAPTLMNAACHEABCG2GBA1
SCHEMBL4756735 0.76 KMT2A (0.58) MAPTLMNAACHEABCG2GBA1

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