SCHEMBL6206565

SCHEMBL6206565

CNC1(C(=O)O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.52
CYP2D6 P10635 11/20 0.52
CYP2C9 P11712 9/20 0.52
CYP2C19 P33261 5/20 0.52
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HIF1A Q16665 3/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 5/20 0.45
USP2 O75604 4/20 0.45
TSHR P16473 5/20 0.45
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
SCHEMBL4841560 0.89 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL1488416 0.80 MEN1 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL10569014 0.79 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL1488335 0.77 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL1221665 0.77 NPSR1 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4833167 0.77 CYP2D6 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4840944 0.76 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL14676735 0.76 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4782320 0.75 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL1602301 0.74 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A

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-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed