SCHEMBL3819940

SCHEMBL3819940

CC1c2ccc(-c3cccs3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.40
KCNH2 Q12809 8/20 0.36
CYP1A2 P05177 7/20 0.36
CYP2C9 P11712 7/20 0.36
CYP2C19 P33261 7/20 0.36
CYP3A4 P08684 6/20 0.36
TACR2 P21452 4/20 0.36
TACR1 P25103 4/20 0.36
CYP2D6 P10635 3/20 0.36
ERG P11308 3/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3815517 0.90 TACR3 (0.40) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL931330 0.86 GRM5 (0.43) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL3810166 0.85 TACR3 (0.34) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL3819602 0.85 MAPT (0.35) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL3818140 0.84 TACR3 (0.51) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL3816870 0.83 KDM4E (0.39) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL3819331 0.82 P2RX7 (0.42) TACR3
SCHEMBL3820990 0.82 TACR3 (0.37) TACR3TACR2TACR1POLB
SCHEMBL3815328 0.82 MAPT (0.51) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL3818834 0.82 TACR3 (0.35) TACR3KCNH2CYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090576-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) 2009-08-19 EP claimed
EP-2090576-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) 2009-08-19 EP disclosed
EP-2090576-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) 2009-08-19 EP disclosed
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