SCHEMBL6978812

SCHEMBL6978812

CC(=O)c1ccc2c(c1)CN(C(C)C)S(=O)(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B1 P14061 1/20 0.38
HPGD P15428 1/20 0.36
KCNJ1 P48048 2/20 0.36
HRH4 Q9H3N8 1/20 0.34
MEN1 O00255 1/20 0.33
CYBB P04839 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
SNCA P37840 1/20 0.33
KMT2A Q03164 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
PGR P06401 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6984270 0.87 ALDH1A1 (0.42) MAPTHPGDMEN1ALOX15KMT2A
SCHEMBL6985472 0.68 MAPT (0.38) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL18876729 0.65 NPC1 (0.58) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL21872073 0.63 PTPN1 (0.41) MAPTALDH1A1KDM4ERECQLLMNA
SCHEMBL15142146 0.63 RAB9A (0.47) MAPTNPC1RAB9AHSD17B1KCNJ1
SCHEMBL2610325 0.62 MAPT (0.58) MAPTNPC1RAB9AHSD17B1ALOX15
SCHEMBL688076 0.61 EPHX2 (0.56) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL7482694 0.61 NPC1 (0.53) MAPTNPC1RAB9AHSD17B1KCNJ1
SCHEMBL27606563 0.61 MAPT (0.57) MAPTNPC1RAB9AHSD17B1HPGD
SCHEMBL7285536 0.60 NOTUM (0.60) MAPTNPC1RAB9AHSD17B1HPGD

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-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 WO disclosed