SCHEMBL6569466

SCHEMBL6569466

CCC(C)([C](C)C)C1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
GPR3 P46089 1/20 0.35
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PKM P14618 1/20 0.33
SLC22A2 O15244 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
SCHEMBL14815616 0.71 GPR3 (0.43) POLBACHEBCHEGPR3HTR2A
SCHEMBL3922127 0.71 GPR3 (0.46) POLBACHEBCHEGPR3HTR2A
SCHEMBL5837267 0.71 GPR3 (0.46) POLBACHEBCHEGPR3HTR2A
SCHEMBL27563108 0.70 CYP2C19 (0.44) POLBALDH1A1CHRM1ADRA1ACYP1A2
SCHEMBL14825691 0.67 POLB (0.40) POLBALDH1A1PKMCYP1A2KMT2A
SCHEMBL8971042 0.67 GPR3 (0.43) POLBACHEBCHEGPR3HTR2A
SCHEMBL14825901 0.67 POLB (0.39) POLBALDH1A1PKMCYP1A2KMT2A
SCHEMBL2547987 0.67 ACHE (0.39) POLBACHEBCHEGPR3HTR2A
SCHEMBL21172113 0.66 HDAC3 (0.46) POLBALDH1A1PKMCYP1A2KMT2A
SCHEMBL12205622 0.65 POLB (0.44) POLBGPR3ALDH1A1CYP1A2KMT2A

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
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed