SCHEMBL18800030

SCHEMBL18800030

COC(=O)NCCOc1ccc2c(c1)c(CCNC(C)=O)c(C)n2SI

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 18/20 0.49
▸ MTNR1B P49286 18/20 0.49
▸ NQO2 P16083 2/20 0.49
▸ LMNA P02545 1/20 0.42

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
SCHEMBL18800029 0.93 MTNR1A (0.46) MTNR1AMTNR1BNQO2LMNA
SCHEMBL18800058 0.88 MTNR1A (0.48) MTNR1AMTNR1BNQO2
SCHEMBL18800052 0.87 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL18800091 0.85 MTNR1A (0.46) MTNR1AMTNR1BNQO2
SCHEMBL18800080 0.84 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL18800062 0.83 HTR2B (0.40) MTNR1AMTNR1BNQO2
SCHEMBL18800006 0.82 MTNR1A (0.45) MTNR1AMTNR1BNQO2
SCHEMBL18800060 0.82 MTNR1A (0.45) MTNR1AMTNR1BNQO2
SCHEMBL18800048 0.79 SPR (0.52) MTNR1AMTNR1BNQO2LMNA
SCHEMBL18239688 0.79 HTR6 (0.45) MTNR1AMTNR1BNQO2

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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