SCHEMBL25547741

SCHEMBL25547741

c1ccc2cc(C3CCC4(CC3)OCCO4)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
TRPV3 Q8NET8 1/20 0.36
C5AR1 P21730 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
PDPK1 O15530 1/20 0.35
ABL1 P00519 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HCRTR1 O43613 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1536419 0.81 CYP1A2 (0.47) L3MBTL1CYP1A2CYP2A6PDPK1ABL1
SCHEMBL30367774 0.80 CYP1A2 (0.44) L3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL22288174 0.77 L3MBTL1 (0.56) L3MBTL1MAPK1CYP1A2CYP2A6PDPK1
SCHEMBL3076096 0.77 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP2A6PDPK1ABL1
SCHEMBL559117 0.77 CDK2 (0.39) MAPK1C5AR1KDM4EALDH1A1
SCHEMBL30452394 0.76 L3MBTL1 (0.58) L3MBTL1MAPK1CYP1A2CYP2A6PDPK1
SCHEMBL22288137 0.76 L3MBTL1 (0.58) L3MBTL1MAPK1CYP1A2CYP2A6PDPK1
SCHEMBL20623030 0.76 L3MBTL1 (0.58) L3MBTL1MAPK1CYP1A2CYP2A6PDPK1
SCHEMBL744363 0.75 PDE10A (0.50) PDE10AMAPK1TRPV3KDM4EALDH1A1
SCHEMBL30408061 0.75 PDE10A (0.50) PDE10AMAPK1TRPV3KDM4EALDH1A1

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-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed