SCHEMBL6008596

SCHEMBL6008596

C[C@@H](O)C1CNCCN1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL1189619 0.88 SIGMAR1 (0.47) SIGMAR1TDP1CYP2C19SLC6A2SLC6A4
SCHEMBL26893117 0.82 SIGMAR1 (0.47) SIGMAR1TDP1CYP2C19SLC6A2SLC6A4
SCHEMBL19486854 0.82 SIGMAR1 (0.47) SIGMAR1TDP1CYP2C19SLC6A2SLC6A4
SCHEMBL9842011 0.80 TDP1 (0.42) SIGMAR1TDP1CYP2C19
SCHEMBL4996661 0.78
SCHEMBL10991627 0.78 RAB9A (0.39)
SCHEMBL6964856 0.78 ALDH1A1 (0.45)
SCHEMBL3631849 0.78 SIGMAR1 (0.40) SIGMAR1TDP1CYP2C19
SCHEMBL6891286 0.78 SLC6A4 (0.41) SIGMAR1TDP1CYP2C19SLC6A2SLC6A4
SCHEMBL9842021 0.77 TDP1 (0.42) TDP1

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-2006051410-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER INC. (US) 2006-05-18 WO disclosed