SCHEMBL4604753

SCHEMBL4604753

Cc1ccc([C@@H]2CCC[C@H]2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.49
GRIA4 P48058 1/20 0.45
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
AR P10275 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL4604755 1.00 SLC18A3 (0.49) SLC18A3GRIA4HTR2AHTR2CHTR2B
SCHEMBL4604751 1.00 SLC18A3 (0.49) SLC18A3GRIA4HTR2AHTR2CHTR2B
SCHEMBL1138540 0.96 SLC18A3 (0.53) SLC18A3GRIA4HTR2AHTR2CHTR2B
SCHEMBL11476408 0.86 SLC18A3 (0.45) SLC18A3GRIA4HTR2AHTR2CHTR2B
SCHEMBL11482654 0.81 SLC6A2 (0.47) SLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL25341890 0.79 SLC18A3 (0.49) SLC18A3GRIA4HTR2AHTR2CHTR2B
SCHEMBL4607615 0.79 KDM1A (0.47) GRIA4HTR2CHTR2BAR
SCHEMBL8326083 0.79 KDM1A (0.47) SLC18A3HTR2AHTR2CHTR2BAR
SCHEMBL31513775 0.79 SLC18A3 (0.49) SLC18A3GRIA4HTR2AHTR2CHTR2B
SCHEMBL4606519 0.79 KDM1A (0.47) GRIA4HTR2CHTR2BAR

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-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO disclosed