SCHEMBL3815249

SCHEMBL3815249

Cc1ccc(-c2cccc3c2CCN(C(=O)c2cc4ccc(Br)cn4n2)C3C)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 9/20 0.34
TACR2 P21452 8/20 0.34
TACR1 P25103 5/20 0.34
HTT P42858 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
MCL1 Q07820 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL3816792 0.90 TACR3 (0.40) TACR3TACR2TACR1MAPTMAPK1
SCHEMBL3815739 0.87 GRM5 (0.35) TACR3TACR2TACR1HTTLMNA
SCHEMBL3811359 0.87 ALDH1A1 (0.37) HTTKDM4EALDH1A1MAPTLMNA
SCHEMBL1009724 0.87 GRM5 (0.46) ALDH1A1MAPTGRM5GAA
SCHEMBL3817104 0.85 ALDH1A1 (0.36) HTTALDH1A1MAPTLMNAMAPK1
SCHEMBL3819045 0.85 GRM5 (0.36) HTTKDM4EALDH1A1MAPTLMNA
SCHEMBL3818196 0.84 HTT (0.37) TACR3TACR2TACR1HTTALDH1A1
SCHEMBL3818159 0.83 DRD2 (0.35) ALDH1A1GRM5NPC1RAB9A
SCHEMBL3818004 0.83 UCHL1 (0.39) LMNAGRM5CYP2D6CYP2C9CYP2C19
SCHEMBL3815436 0.83 ALDH1A1 (0.32) HTTALDH1A1LMNAMAPK1GRM5

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