SCHEMBL4089485

SCHEMBL4089485

Cc1cc2cccc3c2n1C(CC1CNCCO1)C(C(=O)c1cccc2ccccc12)O3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 7/20 0.35
ALDH1A1 P00352 7/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 4/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
RGS12 O14924 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL17237462 0.96 ALDH1A1 (0.38) SSTR4ALDH1A1CNR1CNR2NPC1
SCHEMBL5792354 0.96 ALDH1A1 (0.38) SSTR4ALDH1A1CNR1CNR2NPC1
SCHEMBL31318122 0.78 CNR1 (0.52) ALDH1A1CNR1CNR2NPC1MAPT
SCHEMBL4089479 0.78 CNR1 (0.52) ALDH1A1CNR1CNR2NPC1MAPT
SCHEMBL3176889 0.78 CNR1 (0.52) ALDH1A1CNR1CNR2NPC1MAPT
SCHEMBL3011354 0.75 CNR1 (0.55) ALDH1A1CNR1CNR2NPC1MAPT
SCHEMBL5792357 0.75 CNR1 (0.55) ALDH1A1CNR1CNR2NPC1MAPT
SCHEMBL31318123 0.75 CNR1 (0.55) ALDH1A1CNR1CNR2NPC1MAPT
SCHEMBL3176900 0.72 SSTR4 (0.35) SSTR4ALDH1A1CNR1CNR2NPC1
SCHEMBL11354807 0.58 HTR3E (0.60) ALDH1A1RAB9ALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303528-A1 CB2 Receptor Modulators in Neurodegenerative Diseases and Applications of the Same UNIV ARKANSAS (US) 2013-11-14 US disclosed
US-20090124608-A1 CB2 Receptor Modulators In Neurodegenerative Diseases And Applications Of The Same BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2009-05-14 US disclosed