SCHEMBL5780284

SCHEMBL5780284

C=CCC1N(C(=O)CSc2ccccc2)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GNRHR P30968 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FKBP1A P62942 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5786887 0.79 GNRHR (0.41) GNRHRKCNH2
SCHEMBL5786885 0.79 GNRHR (0.33) GNRHRMEN1KMT2AKCNH2PTGDR2
SCHEMBL5600486 0.79 GNRHR (0.36) ALDH1A1GNRHRMEN1KMT2AKCNH2
SCHEMBL5778387 0.78 OPRM1 (0.35) GNRHRKCNH2PTGDR2LMNA
SCHEMBL5780422 0.78 P2RX7 (0.36) ALDH1A1GNRHRKCNH2GRM5PTGDR2
SCHEMBL5599105 0.78 CHRNB2 (0.34) GNRHRKCNH2PTGDR2
SCHEMBL5780824 0.77 GNRHR (0.37) GNRHRKCNH2PTGDR2
SCHEMBL5599427 0.76 DPP4 (0.36) ALDH1A1GNRHRMEN1KMT2APKM
SCHEMBL5599768 0.76 GNRHR (0.36) GNRHRKCNH2PTGDR2
SCHEMBL5599502 0.76 GNRHR (0.32) GNRHRKCNH2

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-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed