SCHEMBL9018517

SCHEMBL9018517

COP(=O)(OC)OCN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnnn1CCC#N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.39
TRPV1 Q8NER1 1/20 0.35
MME P08473 1/20 0.35
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
CNR2 P34972 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL8921655 0.90 GHSR (0.45) GHSRNAALAD2MMEMAOB
SCHEMBL8922575 0.88 GHSR (0.48) GHSRNAALAD2TRPV1MMEERCC5
SCHEMBL8922585 0.88 GHSR (0.48) GHSRNAALAD2TRPV1MMEERCC5
SCHEMBL8923880 0.82 GHSR (0.46) GHSRNAALAD2MMEMAOB
SCHEMBL8922494 0.82 GHSR (0.46) GHSRNAALAD2MMEMAOB
SCHEMBL8923105 0.80 GHSR (0.46) GHSRNAALAD2TRPV1MME
SCHEMBL8923115 0.80 GHSR (0.46) GHSRNAALAD2TRPV1MME
SCHEMBL8920614 0.77 GHSR (0.58) GHSRNAALAD2
SCHEMBL8921747 0.77 GHSR (0.58) GHSRNAALAD2
SCHEMBL3703216 0.74 GHSR (0.46) GHSRNAALAD2CNR2MAOB

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
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed