SCHEMBL4191810

SCHEMBL4191810

O=C(NCC1CCCCC1)c1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.73
CNR2 P34972 7/20 0.73
POLB P06746 1/20 0.56
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RORC P51449 1/20 0.52
WDR5 P61964 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
BCHE P06276 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
SCHEMBL5314765 0.84 CNR1 (0.78) CNR1CNR2ALDH1A1NPC1BCHE
SCHEMBL4190849 0.84 CNR1 (0.78) CNR1CNR2ALDH1A1NPC1KMT2A
SCHEMBL5224040 0.84 CNR1 (0.78) CNR1CNR2ALDH1A1NPC1BCHE
SCHEMBL4190780 0.84 CNR1 (1.00) CNR1CNR2ALDH1A1NPC1KMT2A
SCHEMBL5224036 0.82 CNR1 (0.74) CNR1CNR2POLBALDH1A1NPC1
SCHEMBL5220662 0.82 CNR1 (0.74) CNR1CNR2ALDH1A1NPC1BCHE
SCHEMBL4185327 0.81 CNR1 (0.73) CNR1CNR2ALDH1A1NPC1KMT2A
SCHEMBL4194677 0.81 CNR1 (0.73) CNR1CNR2ALDH1A1NPC1BCHE
SCHEMBL5221765 0.79 GFER (0.69) POLBALDH1A1NPC1MAPTRORC
SCHEMBL4194303 0.79 CNR1 (0.90) CNR1CNR2ALDH1A1NPC1KMT2A

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