SCHEMBL18800012

SCHEMBL18800012

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

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 16/20 0.55
▸ MTNR1B P49286 14/20 0.55
▸ NQO2 P16083 1/20 0.51

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
SCHEMBL18800052 0.89 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL18800026 0.87 MTNR1A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL18800042 0.86 SPR (0.55) MTNR1AMTNR1B
SCHEMBL18800080 0.85 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL18800043 0.81 MTNR1A (0.41) MTNR1AMTNR1BNQO2
SCHEMBL13286917 0.78 PTGS2 (0.74) —
SCHEMBL18222517 0.77 HTR6 (0.56) MTNR1AMTNR1B
SCHEMBL18800030 0.77 MTNR1A (0.49) MTNR1AMTNR1BNQO2
SCHEMBL18800058 0.76 MTNR1A (0.48) MTNR1AMTNR1BNQO2
SCHEMBL18800029 0.75 MTNR1A (0.46) 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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