SCHEMBL4755891

SCHEMBL4755891

O=CCN1CCN(c2nc(-c3ccc(F)c(F)c3)nc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ACHE P22303 1/20 0.53
ABCG2 Q9UNQ0 3/20 0.53
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACP1 P24666 2/20 0.48
ROCK2 O75116 2/20 0.48
GBA1 P04062 3/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TSHR P16473 1/20 0.47
ROCK1 Q13464 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 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
SCHEMBL4755935 0.87 MAPT (0.56) LMNAACHEABCG2MAPTSMN1; SMN2
SCHEMBL4755807 0.86 GBA1 (0.63) LMNAACHEABCG2MAPTSMN1; SMN2
SCHEMBL4755874 0.84 HIF1A (0.67) LMNAACHEMAPTSMN1; SMN2GBA1
SCHEMBL4096827 0.83 ACP1 (0.70) LMNAABCG2MAPTACP1ALDH1A1
SCHEMBL4755906 0.82 HIF1A (0.56) LMNAACHEABCG2MAPTSMN1; SMN2
SCHEMBL4090937 0.82 CYP3A4 (0.67) LMNAABCG2MAPTSMN1; SMN2ROCK2
SCHEMBL4084433 0.82 ACP1 (0.71) LMNAABCG2MAPTACP1ALDH1A1
SCHEMBL4755806 0.81 RAB9A (0.69) LMNAACHEABCG2MAPTSMN1; SMN2
SCHEMBL4090305 0.80 HTT (0.66) LMNAABCG2MAPTSMN1; SMN2ACP1
SCHEMBL4095774 0.80 GBA1 (0.61) ABCG2MAPTACP1ROCK2GBA1

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