SCHEMBL9019804

SCHEMBL9019804

CCCNC1CCCc2cccc(S(C)(=O)=O)c21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR1A P08908 6/20 0.40
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
HTR1D P28221 2/20 0.39

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
SCHEMBL8634507 0.79 HTR1A (0.43) HTTHTR1ADRD3DRD2
SCHEMBL9189350 0.79 HTR1A (0.43) HTTHTR1ADRD3DRD2
SCHEMBL10643997 0.78 HTT (0.43) HTTKMT2ANPSR1HTR1ADRD3
SCHEMBL9019746 0.76 HTR1A (0.41) HTTHTR1ADRD3DRD2
Maleic Acid SCHEMBL8822621 0.76 HTT (0.41) LMNAHTTKMT2ANPSR1HTR1A
SCHEMBL9187440 0.76 HTT (0.42) HTTKMT2ANPSR1HTR1ADRD3
Hydrochloric Acid SCHEMBL8822593 0.76 DRD2 (0.48) HTTKMT2ANPSR1HTR1ADRD2
SCHEMBL9019728 0.75 HTR1A (0.41) HTTHTR1ADRD3DRD2
Hydrochloric Acid SCHEMBL9359457 0.75 HTR1A (0.41) HTTHTR1ADRD3DRD2
SCHEMBL9185072 0.75 HTR1A (0.41) HTTHTR1ADRD3DRD2

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