Morpholine

Morpholine

SCHEMBL27733752

C1COCCN1.C=CCS(=O)(=O)c1ccc(C(C=C)S(=O)(=O)n2c(C(C)C(=O)O)cc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.34

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.34
▸ PPARG P37231 6/20 0.33
▸ PPARA Q07869 6/20 0.33
▸ PPARD Q03181 5/20 0.33
▸ TRPV1 Q8NER1 1/20 0.31
▸ RORC P51449 1/20 0.30

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
Morpholine SCHEMBL27733669 0.80 PHGDH (0.33) PHGDHPPARGPPARAPPARD
SCHEMBL27733824 0.76 TRPV1 (0.37) PPARGPPARATRPV1RORC
SCHEMBL28775092 0.76 AKR1C3 (0.39) PHGDHPPARGPPARAPPARD
Morpholine SCHEMBL27733783 0.73 — —
SCHEMBL27733727 0.72 NOTUM (0.49) —
SCHEMBL28775101 0.72 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL27733656 0.72 PPARG (0.36) PPARGPPARAPPARD
SCHEMBL27713303 0.72 POLB (0.36) PPARGPPARAPPARDTRPV1
SCHEMBL27713321 0.71 SCN4A (0.42) PPARGPPARAPPARD
SCHEMBL27733816 0.71 PPARG (0.39) PHGDHPPARGPPARAPPARD

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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