SCHEMBL4559837

SCHEMBL4559837

CC1c2cccc(-c3cnn(C)c3)c2CCN1C(=O)c1cc2ccc(Br)cn2n1.CC1c2cccc(-c3cnn(C)c3)c2CCN1C(=O)c1cc2ccc(Cl)cn2n1.Cc1n[nH]cc1-c1cccc2c1C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA1B Q00975 1/20 0.34
SPR P35270 3/20 0.30

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
SCHEMBL4557563 0.86 DRD1 (0.31) DRD1SPR
SCHEMBL3813237 0.86 GRM5 (0.33) SPR
SCHEMBL3810606 0.86 PARP1 (0.36) DRD1SPR
SCHEMBL4558566 0.84 PRMT5 (0.34) DRD1CYP3A4HTR2BCACNA1B
SCHEMBL3821854 0.84 GRM5 (0.31)
SCHEMBL3812986 0.84 MAPK1 (0.34) DRD1SPR
SCHEMBL3820638 0.84 DRD1 (0.43) DRD1CYP3A4HTR2BCACNA1B
SCHEMBL3819025 0.84 DRD1 (0.40) DRD1CYP3A4HTR2BCACNA1B
SCHEMBL4078137 0.83 GRM5 (0.36) SPR
SCHEMBL3816095 0.83 PARP1 (0.36) DRD1CYP3A4HTR2BCACNA1B

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
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed