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Sugi Predict / Compounds / SCHEMBL4199022

SCHEMBL4199022

SCHEMBL4199022

COc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NCC1CCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 13/20 0.64
▸ CNR2 P34972 12/20 0.64
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ BCHE P06276 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL5224029 0.85 CNR1 (0.69) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4191556 0.85 CNR1 (0.68) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4191297 0.84 CNR1 (0.68) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4196133 0.83 CNR1 (0.69) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL5223641 0.82 PPARG (0.52) NPC1ALDH1A1HPGD
SCHEMBL4203143 0.82 CNR1 (0.70) CNR1CNR2NPC1ALDH1A1BCHE
SCHEMBL4196595 0.81 ALDH1A1 (0.57) CNR1CNR2NPC1ALDH1A1HPGD
SCHEMBL4192846 0.81 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4188676 0.80 DRD3 (0.56) ALDH1A1
SCHEMBL4192978 0.80 ALDH1A1 (0.49) CNR1CNR2NPC1ALDH1A1HPGD

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
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 — — EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 — — WO disclosed