SCHEMBL8967338

SCHEMBL8967338

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.59
DRD2 P14416 3/20 0.59
SIGMAR1 Q99720 13/20 0.50
USP2 O75604 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD4 P21917 1/20 0.47

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
Hydrochloric Acid SCHEMBL8966597 0.99 DRD3 (0.58) DRD3DRD2SIGMAR1USP2CHRM2
Hydrochloric Acid SCHEMBL9223939 0.87 SIGMAR1 (0.52) DRD3DRD2SIGMAR1
SCHEMBL8967329 0.87 SIGMAR1 (0.50) DRD3SIGMAR1
Hydrochloric Acid SCHEMBL9229456 0.87 SIGMAR1 (0.52) DRD3DRD2SIGMAR1
SCHEMBL8966528 0.87 SIGMAR1 (0.50) DRD3SIGMAR1
SCHEMBL8967226 0.87 SIGMAR1 (0.66) DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8967140 0.86 SIGMAR1 (0.49) DRD3SIGMAR1
SCHEMBL8967463 0.85 SIGMAR1 (0.48) DRD3SIGMAR1
SCHEMBL8967296 0.84 DRD3 (0.51) DRD3DRD2SIGMAR1
Hydrochloric Acid SCHEMBL8967334 0.83 DRD3 (0.51) DRD3DRD2SIGMAR1

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