SCHEMBL28406870

SCHEMBL28406870

CCN(c1ccc(-n2c(C(=O)O)cc3ccccc32)cc1NC(=O)Nc1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 16/20 0.52
▸ F10 P00742 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ F2 P00734 1/20 0.36

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
SCHEMBL28406844 0.93 IDO1 (0.61) IDO1ALDH1A1
SCHEMBL28406867 0.92 IDO1 (0.49) IDO1ALDH1A1TSHR
SCHEMBL28401052 0.92 IDO1 (0.52) IDO1F10F2
SCHEMBL28397873 0.91 IDO1 (0.48) IDO1F10ALDH1A1
SCHEMBL28401138 0.89 IDO1 (0.49) IDO1
SCHEMBL28398505 0.89 IDO1 (0.54) IDO1
SCHEMBL28399112 0.89 IDO1 (0.46) IDO1
SCHEMBL28403303 0.86 IDO1 (0.56) IDO1
SCHEMBL23663508 0.85 IDO1 (0.54) IDO1
SCHEMBL28406914 0.85 IDO1 (0.60) IDO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153850-B Indole compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2021-08-13 — — CN claimed
CN-111153850-A Indole compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2020-05-15 — — CN claimed
CN-111153850-B Indole compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2021-08-13 — — CN disclosed
CN-111153850-A Indole compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2020-05-15 — — CN disclosed
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