SCHEMBL9019837

SCHEMBL9019837

CCCNC1CCCc2cccc(CC=S)c21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL9019728 0.82 HTR1A (0.41) HTR1AHTTDRD2DRD3DRD4
SCHEMBL8634507 0.78 HTR1A (0.43) HTR1AHTTDRD2DRD3DRD4
SCHEMBL9189350 0.78 HTR1A (0.43) HTR1AHTTDRD2DRD3DRD4
SCHEMBL10643997 0.77 HTT (0.43) HTR1AHTTDRD2DRD3DRD4
SCHEMBL9019746 0.75 HTR1A (0.41) HTR1AHTTDRD2DRD3DRD4
SCHEMBL9187440 0.75 HTT (0.42) HTR1AHTTDRD2DRD3DRD4
SCHEMBL9185072 0.74 HTR1A (0.41) HTR1AHTTDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9359457 0.74 HTR1A (0.41) HTR1AHTTDRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9364077 0.74 MAOB (0.44) HTR1AHTT
SCHEMBL9019804 0.73 LMNA (0.46) HTR1AHTTDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
EP-0385658-B1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1994-12-28 EP disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 EP disclosed