SCHEMBL7469787

SCHEMBL7469787

NCC1CCN(c2cc3ncnc(NCCc4ccc(Cl)cc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
HRH4 Q9H3N8 1/20 0.44
NR2F2 P24468 1/20 0.43
PRKCQ Q04759 4/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
DNMT1 P26358 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
NTRK1 P04629 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7463399 0.92 PRKCQ (0.49) HTTPRKCQCNR1CNR2DNMT1
SCHEMBL7470615 0.92 HTT (0.50) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7471116 0.86 HTT (0.52) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7474097 0.86 HRH4 (0.56) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7470182 0.85 HTT (0.50) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7470593 0.85 HTT (0.50) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7466405 0.83 HTT (0.48) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7463152 0.83 HTT (0.48) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7466801 0.83 HTT (0.48) HTTHRH4NR2F2CNR1CNR2
SCHEMBL7470361 0.83 HTT (0.45) HTTHRH4NR2F2PRKCQNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed