SCHEMBL3818150

SCHEMBL3818150

NC(=O)C12CC3CC(CC(C3)C1)C2.O=C(O)c1cc2ccc(Cl)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.39
HSD11B1 P28845 4/20 0.36
HSD11B2 P80365 1/20 0.36
RPA1 P27694 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LTC4S Q16873 1/20 0.34
PPP1CA P62136 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3814191 0.86 HSD11B1 (0.35) HSD11B1HSD11B2P2RX7CNR1CNR2
SCHEMBL3815221 0.82 NR1H4 (0.36) NR1H4HSD11B1RPA1P2RX7CNR1
SCHEMBL3813756 0.81 RPA1 (0.45) RPA1SMN1; SMN2L3MBTL1PPP1CA
SCHEMBL3816741 0.78 SRD5A2 (0.36) NR1H4HSD11B1HSD11B2P2RX7CNR2
SCHEMBL3820671 0.77 ALDH1A1 (0.34) NR1H4SMN1; SMN2P2RX7L3MBTL1ALDH1A1
SCHEMBL3813472 0.73 TSHR (0.33) HSD11B1CNR2CA12CA2CA9
SCHEMBL3815943 0.69 CNR2 (0.37) HSD11B1HSD11B2P2RX7CNR2L3MBTL1
SCHEMBL3815358 0.68 LMNA (0.34) SMN1; SMN2CNR2ALDH1A1NPSR1
SCHEMBL30971768 0.66 TP53 (0.45) SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL13720006 0.65 CNR2 (0.39) SMN1; SMN2CNR1CNR2NPC1ALDH1A1

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