SCHEMBL30503575

SCHEMBL30503575

Cn1ccc2ccc(F)nc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.42
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
PIK3CB P42338 1/20 0.32
CYP2A6 P11509 1/20 0.32
PRKCI P41743 1/20 0.31
MAPT P10636 1/20 0.30
KCNN3 Q9UGI6 1/20 0.30

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
SCHEMBL9285078 1.00 APP (0.42) APPDDB1CRBNPIK3CBCYP2A6
SCHEMBL7914425 0.76 CCR1 (0.42) DDB1CRBNPIK3CBCYP2A6PRKCI
SCHEMBL30545112 0.74 DDB1 (0.39) APPDDB1CRBNPIK3CBCYP2A6
SCHEMBL3754475 0.74 DDB1 (0.39) APPDDB1CRBNPIK3CBCYP2A6
SCHEMBL30322466 0.74 DDB1 (0.39) DDB1CRBNPIK3CBCYP2A6PRKCI
SCHEMBL22323347 0.74 DDB1 (0.39) DDB1CRBNPIK3CBCYP2A6PRKCI
SCHEMBL30720083 0.71 NCF1 (0.44) DDB1CRBNPIK3CBCYP2A6MAPT
SCHEMBL22337647 0.71 MTNR1A (0.50) DDB1CRBN
SCHEMBL30720085 0.71 NCF1 (0.44) DDB1CRBNPIK3CBCYP2A6MAPT
SCHEMBL15469665 0.71 DDB1 (0.37) DDB1CRBNPIK3CBCYP2A6MAPT

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed