SCHEMBL170931

SCHEMBL170931

CC[C@@H](C1CCCC1)N(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
EPHX1 P07099 1/20 0.31
ADH1C P00326 1/20 0.30
ADH1A P07327 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
SCHEMBL13996017 0.80 SHBG (0.37) SHBGEPHX1
SCHEMBL170996 0.78 SHBG (0.48) SHBGEPHX1
SCHEMBL5672185 0.77 SHBG (0.39) SHBGEPHX1
SCHEMBL17835196 0.76 SHBG (0.52) SHBGEPHX1
SCHEMBL172667 0.76 SHBG (0.52) SHBGEPHX1
SCHEMBL28166542 0.70 SHBG (0.45) SHBGEPHX1ADH1CADH1A
SCHEMBL27760925 0.70 SHBG (0.44) SHBGEPHX1ADH1CADH1A
SCHEMBL18916708 0.69 SHBG (0.43) SHBGEPHX1
SCHEMBL12050070 0.68 SHBG (0.37) SHBGADH1CADH1A
SCHEMBL23693003 0.68 SHBG (0.38) SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed