SCHEMBL196681

SCHEMBL196681

O=C(Nc1cc(Nc2ccc(Cl)cc2)nc2ccccc12)C1CCCC1.O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
IGF1R P08069 2/20 0.50
HPGD P15428 1/20 0.49
EGFR P00533 1/20 0.47
GRM4 Q14833 1/20 0.47
ABL1 P00519 1/20 0.46
PIP5K1C O60331 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ACVRL1 P37023 1/20 0.45

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
SCHEMBL934924 0.98 IGF1R (0.52) RXFP1MAPTNPC1RAB9AIGF1R
SCHEMBL196063 0.93 RXFP1 (0.60) RXFP1MAPTNPC1RAB9AHPGD
SCHEMBL196744 0.92 MAPT (0.58) RXFP1MAPTNPC1RAB9AHPGD
SCHEMBL196512 0.90 MAPT (0.55) RXFP1MAPTNPC1RAB9AHPGD
SCHEMBL30637139 0.88 GRM4 (0.51) RXFP1MAPTNPC1RAB9AGRM4
SCHEMBL29501836 0.88 GRM4 (0.51) RXFP1MAPTNPC1RAB9AGRM4
SCHEMBL196780 0.88 GRM4 (0.51) RXFP1MAPTNPC1RAB9AGRM4
SCHEMBL1976142 0.88 RXFP1 (0.53) RXFP1MAPTNPC1RAB9AHPGD
SCHEMBL196377 0.87 GRM4 (0.49) RXFP1MAPTNPC1RAB9AGRM4
SCHEMBL935627 0.87 RXFP1 (0.51) RXFP1MAPTNPC1RAB9AGAA

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