SCHEMBL8338753

SCHEMBL8338753

CCCCC[CH]CC#CI

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNB2 Q08289 1/20 0.30
CACNA1C Q13936 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
SCHEMBL672132 0.83
SCHEMBL3677998 0.71
SCHEMBL10670493 0.71
SCHEMBL59739 0.71 TSHR (0.53) TSHRFAAHTRPV1THRBALDH1A1
SCHEMBL25171009 0.68 TSHR (0.58) TSHRFAAHTRPV1THRB
SCHEMBL25173853 0.68 TSHR (0.58) TSHRFAAHTRPV1THRB
SCHEMBL25176521 0.68 TSHR (0.58) TSHRFAAHTRPV1THRB
SCHEMBL25174145 0.68 TSHR (0.58) TSHRFAAHTRPV1THRB
SCHEMBL25174128 0.68 TSHR (0.58) TSHRFAAHTRPV1THRB
SCHEMBL25171005 0.68 TSHR (0.58) TSHRFAAHTRPV1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926953-A4 HALOPROPARGYL INCLUSION COMPLEXES TROY CORP (US) 1999-10-13 EP disclosed
EP-0926953-A1 HALOPROPARGYL INCLUSION COMPLEXES TROY CORPORATION (US) 1999-07-07 EP disclosed
WO-1997046095-A1 HALOPROPARGYL INCLUSION COMPLEXES TROY CORPORATION (US) 1997-12-11 WO disclosed