SCHEMBL6833095

SCHEMBL6833095

N#CC1(CNC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2cc3cc(O)ccc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.42
MLLT1 Q03111 1/20 0.41
SRC P12931 1/20 0.40
GHSR Q92847 13/20 0.40
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
BCR P11274 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL6838954 0.93 F10 (0.37) PYGLMLLT1GHSROPRM1
SCHEMBL7070887 0.90 PYGL (0.42) PYGLMLLT1GHSR
SCHEMBL6839074 0.87 GHSR (0.41) PYGLMLLT1GHSR
SCHEMBL5254546 0.84 MLLT1 (0.41) PYGLMLLT1SRCABL1PDGFRB
SCHEMBL6829592 0.83 NPC1 (0.48) PDGFRBFLT3
SCHEMBL6832689 0.83 CTSK (0.38) PYGLGHSROPRM1
SCHEMBL6832876 0.81 GHSR (0.37) PYGLGHSR
SCHEMBL6833097 0.80 GHSR (0.38) PYGLMLLT1GHSR
SCHEMBL5258969 0.79 MLLT1 (0.53) MLLT1SRCABL1PDGFRBKIT
SCHEMBL6834814 0.79 MLLT1 (0.53) MLLT1SRCABL1PDGFRBKIT

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-6747053-B2 Heteroaryl nitriles ROCHE PALO ALTO LLC 2004-06-08 US disclosed