SCHEMBL27320448

SCHEMBL27320448

C[C@@H]1COCCN1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 16/20 0.54
MTOR P42345 3/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL27318560 1.00 PIK3C3 (0.54) PIK3C3MTORLMNA
SCHEMBL7767952 1.00 PIK3C3 (0.54) PIK3C3MTORLMNA
SCHEMBL21256945 0.84 PIK3C3 (0.50) PIK3C3MTOR
SCHEMBL26515061 0.84 PIK3C3 (0.50) PIK3C3MTOR
SCHEMBL25222723 0.82 PIK3C3 (0.49) PIK3C3
SCHEMBL24681517 0.82 MTOR (0.50) PIK3C3MTOR
SCHEMBL22296389 0.82 PIK3C3 (0.49) PIK3C3
SCHEMBL24681530 0.82 MTOR (0.50) PIK3C3MTOR
SCHEMBL22296387 0.82 PIK3C3 (0.49) PIK3C3
SCHEMBL16611301 0.82 PIK3C3 (0.49) PIK3C3

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-1049431-C Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 2000-02-16 CN claimed
CN-113072460-B Morpholine derivative oxidation ring-opening method and product thereof 西南大学 2022-06-24 CN disclosed
CN-113072460-A Morpholine derivative oxidation ring-opening method and product thereof 西南大学 2021-07-06 CN disclosed
CN-1049431-C Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 2000-02-16 CN disclosed