SCHEMBL196682

SCHEMBL196682

O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)C1(C2(C(=O)Nc3cc(Nc4ccc(Cl)cc4)nc4ccccc34)CCCC2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.49
MAPT P10636 5/20 0.45
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 1/20 0.40
KDR P35968 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ACP1 P24666 1/20 0.39

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
SCHEMBL196311 0.86 MAPT (0.41) MAPTRXFP1TP53SMN1; SMN2NPY5R
SCHEMBL197114 0.82 MAPT (0.49) IGF1RMAPTTP53SMN1; SMN2ACP1
SCHEMBL196681 0.82 RXFP1 (0.53) IGF1RMAPTRXFP1
SCHEMBL959150 0.81 MEN1 (0.48) MAPTRXFP1TP53SMN1; SMN2
SCHEMBL934924 0.80 IGF1R (0.52) IGF1RMAPTRXFP1TP53
SCHEMBL196063 0.74 RXFP1 (0.60) MAPTRXFP1
SCHEMBL196744 0.73 MAPT (0.58) MAPTRXFP1SMN1; SMN2
SCHEMBL196512 0.73 MAPT (0.55) MAPTRXFP1SMN1; SMN2
SCHEMBL17713545 0.73 NPY5R (0.54) IGF1RMAPTTP53SMN1; SMN2NPY5R
SCHEMBL936997 0.72 ADORA3 (0.52) MAPTRXFP1TP53SMN1; SMN2KDR

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
JP-2012500255-A 2012-01-05 JP claimed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 EP claimed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 WO claimed