SCHEMBL6129646

SCHEMBL6129646

NC(=O)C1CCCc2c1c1c(OC(=O)CO)cccc1n2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.42
PLA2G2A P14555 12/20 0.42
HTR6 P50406 2/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2F Q9BZM2 1/20 0.38
PLA2G2E Q9NZK7 1/20 0.38
PLA2G2D Q9UNK4 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
SCHEMBL27845033 0.89 TSPO (0.45) TSPOPLA2G2AHTR6PLA2G10PLA2G1B
SCHEMBL27515865 0.88 TSPO (0.43) TSPOPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL7050807 0.87 HTR6 (0.47) TSPOPLA2G2AHTR6PLA2G10
SCHEMBL6129618 0.86 FABP4 (0.37) TSPOPLA2G2AHTR6
SCHEMBL6129638 0.86 HTR6 (0.46) TSPOPLA2G2AHTR6PLA2G10
SCHEMBL817430 0.85 PLA2G2A (0.58) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2F
SCHEMBL29862343 0.85 PLA2G2A (0.58) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2F
SCHEMBL6129588 0.85 FABP4 (0.36) TSPOPLA2G2AHTR6
SCHEMBL6129679 0.85 FABP4 (0.38) PLA2G2AHTR6PLA2G10PLA2G1BPLA2G5
SCHEMBL5864560 0.83 PLA2G2A (0.57) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2F

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043991-A4 TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 2005-02-02 EP claimed
JP-2001522884-A 2001-11-20 JP claimed
EP-1043991-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-10-18 EP claimed
WO-1999025340-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1999-05-27 WO claimed
EP-1043991-A4 TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 2005-02-02 EP disclosed
EP-1043991-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-10-18 EP disclosed
WO-1999025340-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1999-05-27 WO disclosed