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SCHEMBL1850387

SCHEMBL1850387

N#CCCNC(=O)c1cccc(-c2cccc3cc(Cc4ccc(F)c(Cl)c4)oc23)c1.O=C(O)c1cccc(-c2cccc3cc(Cc4ccc(F)c(Cl)c4)oc23)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 7/20 0.55
▸ EIF4EBP1 Q13541 1/20 0.39
▸ KISS1R Q969F8 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GUSB P08236 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34

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
SCHEMBL3218910 0.97 GPR52 (0.58) GPR52EIF4EBP1KISS1RMAPT
SCHEMBL1849844 0.93 GPR52 (0.57) GPR52EIF4EBP1KISS1RGUSBEPHX2
SCHEMBL1855788 0.90 GPR52 (0.58) GPR52EIF4EBP1KISS1RMAPT
SCHEMBL3210616 0.89 GPR52 (0.61) GPR52KISS1RMAPT
SCHEMBL1852443 0.87 GPR52 (0.52) GPR52EIF4EBP1
SCHEMBL3208741 0.87 GPR52 (0.62) GPR52KISS1RMAPT
SCHEMBL1852679 0.87 GPR52 (0.72) GPR52
SCHEMBL1849532 0.84 GPR52 (0.55) GPR52KISS1R
SCHEMBL3208601 0.84 GPR52 (0.58) GPR52MAPT
SCHEMBL1846506 0.82 GPR52 (0.81) 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