SCHEMBL7611212

SCHEMBL7611212

CC(=O)OC(CBr)CCCCCCCCCN(C)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
GLS2 Q9UI32 3/20 0.32
PRKCA P17252 2/20 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
SCHEMBL17965847 0.78 PRKCA (0.47) GLS2PRKCA
SCHEMBL764405 0.74 PRKCA (0.42) GLS2PRKCA
SCHEMBL9787814 0.73 CHRM1 (0.42)
SCHEMBL23945692 0.72 KDM4C (0.43)
SCHEMBL4922117 0.72 TSHR (0.39) TRPV1PRKCA
SCHEMBL4930526 0.72 TSHR (0.39) TRPV1PRKCA
SCHEMBL4922132 0.72 TSHR (0.39) TRPV1PRKCA
SCHEMBL1116238 0.71
SCHEMBL7605158 0.71 ALDH1A1 (0.38) TRPV1
SCHEMBL11741768 0.70 MEN1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719267-B1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS INC (US) 2002-07-31 EP disclosed
EP-0719267-A1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 1996-07-03 EP disclosed
EP-0719267-A4 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS INC (US) 1996-02-16 EP disclosed
US-5470878-A Cell signaling inhibitors CELL THERAPEUTICS, INC. (US) 1995-11-28 US disclosed
WO-1994022863-A9 SECOND MESSENGER CELL SIGNALING INHIBITORS 1994-12-22 WO disclosed
WO-1994022863-A1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 1994-10-13 WO disclosed