SCHEMBL3815221

SCHEMBL3815221

NC(=O)C12CC3CC(CC(C3)C1)C2.O=C(O)c1cc2c(Cl)cc(Cl)cn2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.36
HSD11B1 P28845 11/20 0.36
P2RX7 Q99572 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RPA1 P27694 1/20 0.33

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
SCHEMBL3816741 0.86 SRD5A2 (0.36) NR1H4HSD11B1P2RX7CNR2ALDH1A1
SCHEMBL3820671 0.85 ALDH1A1 (0.34) NR1H4P2RX7ALDH1A1POLB
SCHEMBL3818150 0.82 NR1H4 (0.39) NR1H4HSD11B1P2RX7CNR1CNR2
SCHEMBL3817231 0.81 RPA1 (0.41) RPA1
SCHEMBL3813472 0.80 TSHR (0.33) HSD11B1CNR2ALDH1A1
SCHEMBL3815943 0.75 CNR2 (0.37) HSD11B1P2RX7CNR2ALDH1A1
SCHEMBL3815358 0.75 LMNA (0.34) CNR2ALDH1A1POLB
SCHEMBL3814191 0.73 HSD11B1 (0.35) HSD11B1P2RX7CNR1CNR2ALDH1A1
SCHEMBL4181367 0.66 PTGER1 (0.41) RPA1
SCHEMBL3810745 0.65 MARS1 (0.38) RPA1

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
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