SCHEMBL27837565

SCHEMBL27837565

CN1CCN(CCc2cc([N+](=O)[O-])ccc2OC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HPGD P15428 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ KCNJ1 P48048 5/20 0.46
▸ KCNH2 Q12809 5/20 0.46
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HTR7 P34969 1/20 0.43
▸ HRH4 Q9H3N8 2/20 0.42

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
SCHEMBL5857285 0.93 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDKDM4EKCNJ1
SCHEMBL31696865 0.87 CTSB (0.54) ALDH1A1SMN1; SMN2KDM4EKCNJ1LMNA
SCHEMBL27837694 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDKCNJ1KCNH2
SCHEMBL32662599 0.82 CYP1A2 (0.46) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL31696858 0.81 CTSB (0.52) ALDH1A1SMN1; SMN2KDM4EKCNJ1LMNA
SCHEMBL20299855 0.80 BCL9 (0.44) ALDH1A1SMN1; SMN2HPGDLMNAGAA
SCHEMBL27573003 0.79 TSHR (0.46) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL28102381 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDLMNAGAA
SCHEMBL11613240 0.78 ALDH1A1 (0.51) ALDH1A1HPGDLMNA
SCHEMBL5742091 0.78 KMT2A (0.45) ALDH1A1SMN1; SMN2HPGDLMNAGAA

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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