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SCHEMBL1849429

SCHEMBL1849429

Cc1c2cccc(-c3cccc(C(=O)NCCC#N)c3)c2nn1Cc1cccc(C(F)(F)F)c1.Cc1c2cccc(-c3cccc(C(=O)O)c3)c2nn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 10/20 0.53
▸ PTGER4 P35408 4/20 0.45
▸ PPARG P37231 1/20 0.42
▸ P2RY14 Q15391 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ ALPL P05186 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL3206733 0.97 GPR52 (0.56) GPR52PTGER4PPARGP2RY14CTSL
SCHEMBL1852273 0.88 GPR52 (0.49) GPR52PTGER4PPARGP2RY14KDM4C
SCHEMBL1850028 0.88 GPR52 (0.68) GPR52PTGER4PPARGLMNAALOX15
SCHEMBL1854858 0.83 MAPT (0.46) GPR52PTGER4P2RY14LMNAKDM4C
SCHEMBL1849430 0.82 GPR52 (0.42) GPR52PTGER4P2RY14
SCHEMBL1856279 0.82 GPR52 (0.77) GPR52PTGER4CTSLKDM4C
SCHEMBL1850688 0.80 GPR52 (0.81) GPR52
SCHEMBL1849663 0.79 MAPT (0.48) GPR52PTGER4P2RY14
SCHEMBL3206470 0.78 GPR52 (0.81) GPR52PTGER4CTSL
SCHEMBL3204302 0.78 GPR52 (0.51) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 — — EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 — — WO disclosed