SCHEMBL3423940

SCHEMBL3423940

CCc1c(N)c(C)c(N)c(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.32
CNR2 P34972 4/20 0.32

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
SCHEMBL1499188 0.86 CNR1 (0.36) CNR1CNR2
SCHEMBL3424791 0.86 CNR1 (0.33) CNR1CNR2
SCHEMBL3396922 0.86
SCHEMBL3426325 0.84 CNR1 (0.35) CNR1CNR2
SCHEMBL3396579 0.84 CNR1 (0.32) CNR1CNR2
SCHEMBL19119096 0.83 CNR1 (0.39) CNR1CNR2
SCHEMBL1499208 0.81
SCHEMBL4539596 0.81 CNR1 (0.32) CNR1CNR2
SCHEMBL1499261 0.80 NOS1 (0.33)
SCHEMBL3399461 0.79

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
EP-2245123-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME Chemtura Corporation (US) 2010-11-03 EP disclosed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed