SCHEMBL16792292

SCHEMBL16792292

O=[N+]([O-])CC1CCCCN1c1ccn[c]n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.34
NOS2 P35228 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31

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
SCHEMBL15415839 0.80 CUL4A (0.38) CUL4A
SCHEMBL16792885 0.80 MAPT (0.40) ALDH1A1KMT2A
SCHEMBL15414948 0.79 FFAR1 (0.43) NOS2
SCHEMBL15415666 0.76 PDE10A (0.40)
SCHEMBL15415695 0.74 FFAR1 (0.47)
SCHEMBL12615791 0.73 ROCK2 (0.45)
SCHEMBL15415896 0.73
SCHEMBL12614765 0.73 CHRM4 (0.41) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16792288 0.73
SCHEMBL15415486 0.72 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080091-A1 TETRAHYDROBENZIMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
EP-3080126-A1 PURINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
EP-3080128-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
EP-3080129-A1 IMIDAZOTRIAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
EP-3080133-A1 IMIDAZOTHIAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
WO-2015086505-A1 PURINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086504-A1 IMIDAZOTHIAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086513-A1 TETRAHYDROBENZIMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086501-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086503-A1 IMIDAZOTRIAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed