SCHEMBL6618484

SCHEMBL6618484

BrCCCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
GNAO1 P09471 3/20 0.38
SLC6A4 P31645 2/20 0.38
FAAH O00519 1/20 0.36
GBA1 P04062 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
GNAI3 P08754 2/20 0.33
GNAI1 P63096 2/20 0.33
NAMPT P43490 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRB2 P47870 1/20 0.31
SLC6A12 P48065 1/20 0.31

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
Bromide SCHEMBL11269806 0.98 HRH3 (0.41) HRH3ITGB3ITGA2BGNAO1SLC6A4
SCHEMBL27566475 0.93 HRH3 (0.41) HRH3ITGB3ITGA2BGNAO1SLC6A4
Bromide SCHEMBL7418367 0.89 GNAO1 (0.39) HRH3ITGB3ITGA2BGNAO1SLC6A4
SCHEMBL11980479 0.86
SCHEMBL1706687 0.84
SCHEMBL331124 0.84 HRH3 (0.47) HRH3ITGB3ITGA2BGNAO1SLC6A4
SCHEMBL237382 0.84 ITGB3 (0.47) HRH3ITGB3ITGA2BGNAO1SLC6A4
Bromide SCHEMBL7417472 0.82 HRH3 (0.37) HRH3ITGB3ITGA2BGNAO1SLC6A4
Hydrochloric Acid SCHEMBL10840761 0.81 ITGB3 (0.46) HRH3ITGB3ITGA2BGNAO1SLC6A4
SCHEMBL8732145 0.81 GNAO1 (0.46) HRH3ITGB3ITGA2BGNAO1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100497-B1 HETEROCYCLYL SULPHONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-05-12 EP disclosed
US-6358982-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1100497-A4 HETEROCYCLYL SULPHONAMIDE DERIVATIVES LILLY CO ELI (US) 2001-09-12 EP disclosed
EP-1100497-A1 HETEROCYCLYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-23 EP disclosed
WO-2000006158-A1 HETEROCYCLYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed