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SCHEMBL17626328

SCHEMBL17626328

CCCNC(=O)C[C@@H](C(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 13/20 0.60
▸ CYP3A4 P08684 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ CSNK1E P49674 3/20 0.33
▸ CSNK1D P48730 2/20 0.33
▸ DPP4 P27487 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
SCHEMBL17626347 0.95 KCNH2 (0.58) KCNH2CYP3A4P2RX7TACR3CSNK1E
SCHEMBL17626348 0.92 KCNH2 (0.52) KCNH2P2RX7CSNK1E
SCHEMBL17626394 0.87 KCNH2 (0.60) KCNH2CYP3A4P2RX7TACR3CSNK1E
SCHEMBL2068879 0.86 KCNH2 (0.64) KCNH2CYP3A4P2RX7TACR3CSNK1E
SCHEMBL2068519 0.84 KCNH2 (0.59) KCNH2CYP3A4
SCHEMBL17626339 0.84 KCNH2 (0.63) KCNH2CYP3A4P2RX7TACR3CSNK1E
SCHEMBL12952035 0.82 KCNH2 (0.66) KCNH2CYP3A4P2RX7TACR3CSNK1E
SCHEMBL12952037 0.82 KCNH2 (0.60) KCNH2CYP3A4P2RX7TACR3CSNK1E
SCHEMBL17626540 0.82 KCNH2 (0.57) KCNH2CYP3A4P2RX7TACR3CSNK1E
SCHEMBL17626340 0.82 KCNH2 (0.60) KCNH2CYP3A4P2RX7TACR3DPP4

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
EP-2737927-B1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-03-30 — — EP claimed