SCHEMBL6236057

SCHEMBL6236057

CCN1CCC(N(c2nc(NC)nc(Oc3ccc(OC)c(F)c3)n2)C2CCCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
GALR1 P47211 4/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
GALR2 O43603 3/20 0.34
PDE5A O76074 2/20 0.33
KDR P35968 1/20 0.33
PIK3CD O00329 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
EPHX2 P34913 1/20 0.33
HTR2A P28223 1/20 0.32
POLB P06746 1/20 0.32
GALR3 O60755 1/20 0.32
RAB9A P51151 1/20 0.32
FGFR1 P11362 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 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
SCHEMBL6282299 0.80 OPRM1 (0.38) OPRM1OPRL1MAPTMAPK1KDR
SCHEMBL6234397 0.74 EHMT2 (0.53) MAPT
SCHEMBL5030662 0.74 EHMT2 (0.49) GALR1MAPTGALR2
SCHEMBL6863750 0.74 EHMT2 (0.46) GALR1GALR2
SCHEMBL6819218 0.72 OPRM1 (0.35) OPRM1OPRL1KDREPHX2FGFR1
SCHEMBL4839396 0.69 GALR1 (0.47) GALR1GALR2
SCHEMBL4829397 0.69 EHMT2 (0.42) PIK3CD
SCHEMBL5035813 0.69 GALR1 (0.47) GALR1MAPT
SCHEMBL4829420 0.68 DRD2 (0.45) GALR1
SCHEMBL4838291 0.68 CHEK1 (0.39) PDE5A

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-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed