SCHEMBL4607832

SCHEMBL4607832

BrC1CCC[C]1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
HRH2 P25021 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PTGS2 P35354 1/20 0.32
ANPEP P15144 1/20 0.31
IL1RN P18510 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
MAPK1 P28482 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
SCHEMBL6367893 0.94 CHRNB4 (0.35) ALDH1A1TSHRCHRNB4CHRNA3
SCHEMBL28911580 0.76 HRH3 (0.46) ALDH1A1HRH2HRH3
SCHEMBL2013779 0.74 ALDH1A1 (0.33) ALDH1A1ALOX15TSHRCHRNB4CHRNA3
SCHEMBL5485555 0.74 ALDH1A1 (0.36) ALDH1A1ALOX15TSHRCHRNB4CHRNA3
SCHEMBL14973844 0.74 ALDH1A1 (0.42) ALDH1A1MAPK1
SCHEMBL15758247 0.72 IGF1R (0.46) ALDH1A1ALOX15
SCHEMBL16817775 0.71 MAPT (0.41) ALDH1A1ALOX15TSHR
SCHEMBL7700085 0.70 CHRNB4 (0.41) ALDH1A1CHRNB4CHRNA3ANPEPIL1RN
SCHEMBL5534036 0.70 HRH2 (0.41) ALDH1A1CHRNB4CHRNA3HRH2HRH3
SCHEMBL7358858 0.69 HTR6 (0.34) HRH2HRH3PTGS2

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