SCHEMBL3813472

SCHEMBL3813472

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSD11B1 P28845 4/20 0.32
P2RX4 Q99571 1/20 0.31
CNR2 P34972 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3815943 0.86 CNR2 (0.37) TSHRKDM4EALDH1A1HSD11B1P2RX4
SCHEMBL3815358 0.85 LMNA (0.34) TSHRALDH1A1CNR2LMNA
SCHEMBL3814191 0.82 HSD11B1 (0.35) TSHRKDM4EALDH1A1CA12CA2
SCHEMBL3815611 0.81 RXFP1 (0.40) TSHRKDM4EALDH1A1
SCHEMBL3815221 0.80 NR1H4 (0.36) ALDH1A1HSD11B1CNR2
SCHEMBL3816741 0.75 SRD5A2 (0.36) TSHRKDM4EALDH1A1HSD11B1P2RX4
SCHEMBL3820671 0.75 ALDH1A1 (0.34) ALDH1A1P2RX4LMNA
SCHEMBL3818150 0.73 NR1H4 (0.39) ALDH1A1CA12CA2CA9HSD11B1
SCHEMBL31153514 0.68 RXFP1 (0.51) TSHRKDM4EALDH1A1
SCHEMBL3816090 0.65 L3MBTL1 (0.40) KDM4ECA12CA2CA9

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