SCHEMBL6977485

SCHEMBL6977485

CCC(N)COCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MAOB P27338 5/20 0.40
TACR1 P25103 5/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
ALOX5 P09917 1/20 0.36

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
Hydrochloric Acid SCHEMBL6983593 0.98 IDO1 (0.48) IDO1AGXTMAOBTACR1LOXL2
SCHEMBL7964945 0.84 IDO1 (0.48) IDO1AGXTMAOBTACR1LOXL2
SCHEMBL7955762 0.84 IDO1 (0.48) IDO1AGXTMAOBTACR1LOXL2
SCHEMBL26093337 0.83 IDO1 (0.44) IDO1AGXTMAOBTACR1
SCHEMBL26093335 0.83 IDO1 (0.44) IDO1AGXTMAOBTACR1
SCHEMBL9066585 0.82 IDO1 (0.47) IDO1MAOBTACR1
SCHEMBL9066224 0.82 HTT (0.51) IDO1AGXTMAOBTACR1
SCHEMBL9066589 0.82 IDO1 (0.47) IDO1MAOBTACR1
SCHEMBL9066177 0.82 HTT (0.51) IDO1AGXTMAOBTACR1
SCHEMBL9066226 0.82 HTT (0.51) IDO1AGXTMAOBTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1160341-C Substituted 2, 4-diamino-1, 3, 5-triazines 2004-08-04 CN disclosed
EP-1037882-B1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES BAYER CROPSCIENCE AG (DE) 2003-11-05 EP disclosed
US-6407041-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed
CN-1284069-A Substituted 2,4-diamino-1,3,5-triazines BAYER AG (DE) 2001-02-14 CN disclosed
EP-1037882-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES BAYER AG (DE) 2000-09-27 EP disclosed
WO-1999029677-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1999-06-17 WO disclosed