SCHEMBL5804650

SCHEMBL5804650

CCNC1(C(=O)Nc2nc(C)nc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.46
▸ CNR2 P34972 6/20 0.38
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CRHR1 P34998 3/20 0.34
▸ PTGER1 P34995 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL5808781 0.89 CNR1 (0.36) CNR1CNR2CYP3A4GAACYP2C9
SCHEMBL5809420 0.87 CNR1 (0.38) CNR1CNR2CYP3A4GAACYP2C9
SCHEMBL5804937 0.85 CNR1 (0.37) CNR1CNR2CRHR1
SCHEMBL4838215 0.78 CNR1 (0.63) CNR1CNR2
SCHEMBL1315433 0.78 CNR1 (0.54) CNR1CNR2TDP1
SCHEMBL14269299 0.77 CNR1 (0.51) CNR1CNR2
SCHEMBL4842356 0.73 CNR1 (0.47) CNR1CNR2GPBAR1
SCHEMBL4841160 0.73 CNR1 (0.48) CNR1CNR2ADORA2AADORA1
SCHEMBL4834043 0.73 CRHR1 (0.43) CNR1CNR2CRHR1
SCHEMBL4837519 0.73 CNR1 (0.46) CNR1CNR2CYP3A4CYP2C9CYP2C19

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-2006111424-A1 METHODS FOR IDENTIFYING MODULATORS OF CB1 AND CB2 CANNABINOID RECEPTORS AND THEIR USE IN WOUND HEALING LIFE & BRAIN GMBH (DE) 2006-10-26 — — WO disclosed
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