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SCHEMBL1855487

SCHEMBL1855487

CCOC(=O)c1cc(F)cc(-c2cccc3c(F)c(Cc4cccc(C(F)(F)F)c4)sc23)c1.COCCNC(=O)c1cc(F)cc(-c2cccc3c(F)c(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 14/20 0.55
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ GLS O94925 1/20 0.36

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
SCHEMBL3221538 0.95 GPR52 (0.60) GPR52MRGPRX4MLYCDGLS
SCHEMBL1856519 0.91 GPR52 (0.65) GPR52MRGPRX4ALDH1A1
SCHEMBL1848431 0.91 GPR52 (0.42) GPR52KDM4ENPSR1ALDH1A1MAPT
SCHEMBL1856392 0.90 GPR52 (0.55) GPR52MRGPRX4KDM4ENPSR1MLYCD
SCHEMBL1852132 0.90 GPR52 (0.59) GPR52MRGPRX4MLYCDCCR1
SCHEMBL3210910 0.87 GPR52 (0.71) GPR52MRGPRX4
SCHEMBL3208278 0.84 GPR52 (0.42) GPR52KDM4ENPSR1ALDH1A1MAPT
SCHEMBL1849132 0.83 GPR52 (0.49) GPR52KDM4EALDH1A1MAPTHPGD
SCHEMBL3206568 0.82 GPR52 (0.62) GPR52MRGPRX4MLYCD
SCHEMBL3212271 0.82 GPR52 (0.57) 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