SCHEMBL18800042

SCHEMBL18800042

CCC(=O)NCCc1c(C)n(SI)c2ccc(O)cc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 3/20 0.55
▸ MTNR1A P48039 9/20 0.40
▸ MTNR1B P49286 9/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18800048 0.88 SPR (0.52) SPRMTNR1AMTNR1BPTGS1GAA
SCHEMBL18800024 0.86 SPR (0.50) SPRMTNR1AMTNR1BPTGS1PTGS2
SCHEMBL18800012 0.86 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL18800080 0.79 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL18800043 0.76 MTNR1A (0.41) SPRMTNR1AMTNR1B
SCHEMBL18222512 0.75 PTGDR2 (0.51) SPRMTNR1BKDM4E
SCHEMBL18800052 0.74 MTNR1A (0.64) MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL18800026 0.73 MTNR1A (0.51) MTNR1AMTNR1BPTGS1PTGS2PLA2G2A
SCHEMBL28100773 0.72 SPR (0.48) SPRMTNR1BPLA2G2A
SCHEMBL12720824 0.71 SPR (1.00) SPRMTNR1AMTNR1BPTGS1PTGS2

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
US-9637451-B2 Indole compound ASTELLAS PHARMA INC. (JP) 2017-05-02 — — US disclosed
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