SCHEMBL3814191

SCHEMBL3814191

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 4/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.33
P2RX4 Q99571 1/20 0.33
TSHR P16473 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.32
MAPT P10636 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRK1 P41145 1/20 0.31
RECQL P46063 1/20 0.31
HSD11B2 P80365 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
SCHEMBL3818150 0.86 NR1H4 (0.39) HSD11B1RAB9ANPC1ALDH1A1CA12
SCHEMBL3813472 0.82 TSHR (0.33) HSD11B1ALDH1A1KDM4ECA12CA2
SCHEMBL3811214 0.81 KDM4E (0.46) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL3815943 0.78 CNR2 (0.37) HSD11B1ALDH1A1KDM4ELMNAP2RX7
SCHEMBL3815358 0.77 LMNA (0.34) ALDH1A1LMNATSHRCNR2MAPT
SCHEMBL3815221 0.73 NR1H4 (0.36) HSD11B1ALDH1A1P2RX7CNR2CNR1
SCHEMBL3816741 0.69 SRD5A2 (0.36) HSD11B1ALDH1A1KDM4ELMNAP2RX7
SCHEMBL3820671 0.68 ALDH1A1 (0.34) ALDH1A1LMNAP2RX7P2RX4MAPT
SCHEMBL13720043 0.65 CNR2 (0.39) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL3815833 0.64 RAB9A (0.68) RAB9ANPC1ALDH1A1KDM4ELMNA

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