SCHEMBL3817030

SCHEMBL3817030

Cc1nnc2n1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.40
TACR2 P21452 7/20 0.39
TACR1 P25103 5/20 0.39
KCNH2 Q12809 4/20 0.38
ERG P11308 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3822498 0.91 TACR3 (0.39) TACR3TACR2TACR1KCNH2ERG
SCHEMBL3810556 0.88 TACR3 (0.43) TACR3TACR2TACR1KCNH2ERG
SCHEMBL4185749 0.88 TACR3 (0.37) TACR3TACR2TACR1KCNH2ERG
SCHEMBL3812475 0.88 TACR3 (0.46) TACR3TACR2TACR1KCNH2CYP1A2
SCHEMBL3815823 0.87 TACR3 (0.42) TACR3TACR2TACR1KCNH2ERG
SCHEMBL3815789 0.85 TACR3 (0.51) TACR3TACR2TACR1KCNH2ERG
SCHEMBL3819870 0.85 TACR3 (0.43) TACR3TACR2TACR1KCNH2ERG
SCHEMBL3819604 0.85 TACR3 (0.36) TACR3TACR2TACR1KCNH2ERG
SCHEMBL3811664 0.85 TACR3 (0.43) TACR3TACR2TACR1KCNH2ERG
SCHEMBL3813972 0.85 ALDH1A1 (0.36) TACR3TACR2TACR1

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
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