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SCHEMBL4191663

SCHEMBL4191663

CC1c2ncc(-c3ccc(F)nc3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1.CC1c2nnc(-c3cncnc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1.CC1c2nnc(-c3cncnc3)n2CCN1C(=O)c1cc2ccc(Cl)cn2n1.O=C(c1cc2ccc(Br)cn2n1)N1CCn2c(nnc2-c2ccncn2)C1.O=C(c1cc2ccc(Br)cn2n1)N1CCn2c(nnc2-c2cncnc2)C1.O=C(c1cc2ccc(Cl)cn2n1)N1CCn2c(nnc2-c2cncnc2)C1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.41
▸ TACR3 P29371 8/20 0.35

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
SCHEMBL4171241 0.83 P2RX7 (0.40) P2RX7TACR3
SCHEMBL3426679 0.81 P2RX7 (0.46) P2RX7TACR3
SCHEMBL3820202 0.79 TACR3 (0.45) P2RX7TACR3
SCHEMBL3820836 0.79 P2RX7 (0.47) P2RX7TACR3
SCHEMBL3818203 0.79 TACR3 (0.40) P2RX7TACR3
SCHEMBL3818998 0.79 TACR3 (0.40) P2RX7TACR3
SCHEMBL3819515 0.78 TACR3 (0.51) P2RX7TACR3
SCHEMBL3810312 0.78 TACR3 (0.51) P2RX7TACR3
SCHEMBL3815616 0.77 P2RX7 (0.56) P2RX7TACR3
SCHEMBL3820401 0.77 P2RX7 (0.66) P2RX7TACR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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