SCHEMBL6209956

SCHEMBL6209956

CC(C)(C)c1c(CO)sc2c1CNCC2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.33
ADORA1 P30542 1/20 0.30

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
Hydrochloric Acid SCHEMBL7986458 0.65 ADORA1 (0.42) PNMTADORA1
SCHEMBL6422003 0.63 PNMT (0.46) PNMTADORA1
Hydrochloric Acid SCHEMBL7985190 0.60 ADORA1 (0.46) PNMTADORA1
SCHEMBL30644911 0.60 PDCD1 (0.42) PNMT
SCHEMBL17377152 0.60 PNMT (0.43) PNMTADORA1
SCHEMBL1175364 0.60 ADORA1 (0.53) ADORA1
SCHEMBL17340867 0.59
SCHEMBL11563940 0.59 ADORA1 (0.52) ADORA1
SCHEMBL2992619 0.58 PNMT (0.33) PNMTADORA1
SCHEMBL17377072 0.58 PNMT (0.36) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 EP disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 WO disclosed