SCHEMBL8967463

SCHEMBL8967463

COc1c(C(=O)NCCNC2CCCCCC2)cc(SC)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.48
DRD3 P35462 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
Maleic Acid SCHEMBL8966538 0.94 DRD3 (0.45) SIGMAR1DRD3
Maleic Acid SCHEMBL8968082 0.94 DRD3 (0.45) SIGMAR1DRD3
SCHEMBL8967226 0.85 SIGMAR1 (0.66) SIGMAR1DRD3
SCHEMBL8967338 0.85 DRD3 (0.59) SIGMAR1DRD3
Hydrochloric Acid SCHEMBL9223939 0.85 SIGMAR1 (0.52) SIGMAR1DRD3
SCHEMBL8966528 0.85 SIGMAR1 (0.50) SIGMAR1DRD3
Hydrochloric Acid SCHEMBL9229456 0.85 SIGMAR1 (0.52) SIGMAR1DRD3
SCHEMBL8967329 0.85 SIGMAR1 (0.50) SIGMAR1DRD3
Hydrochloric Acid SCHEMBL8967140 0.84 SIGMAR1 (0.49) SIGMAR1DRD3
Hydrochloric Acid SCHEMBL8966597 0.84 DRD3 (0.58) SIGMAR1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585116-B1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LTD (GB) 1996-02-28 EP disclosed
US-5389684-A Treats disorder of central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-02-14 US disclosed
EP-0585116-A1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LIMITED (GB) 1994-03-02 EP disclosed