SCHEMBL27837694

SCHEMBL27837694

CC(C)(C)OC(=O)N1CCN(CCc2cc([N+](=O)[O-])ccc2OC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KCNJ1 P48048 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL27837565 0.85 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKCNJ1KCNH2
SCHEMBL26122711 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKCNJ1KCNH2
SCHEMBL31696865 0.80 CTSB (0.54) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL4573720 0.80 KCNJ1 (0.65) ALDH1A1LMNAMAPTKCNJ1KCNH2
SCHEMBL5857285 0.79 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL402901 0.79 SIGMAR1 (0.58) ALDH1A1LMNAMAPTKCNJ1KCNH2
SCHEMBL30105726 0.77 CTSB (0.59) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7011905 0.77 ALDH1A1 (0.53) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL22117865 0.77 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKCNH2SMN1; SMN2
SCHEMBL18910916 0.77 MAPT (0.52) ALDH1A1LMNAMAPTSMN1; SMN2HPGD

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
CN-102026976-A Morpholine derivatives as anti-obesity agents BIOVITRUM AB PUBL 2011-04-20 — — CN disclosed
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