SCHEMBL8899155

SCHEMBL8899155

CN(C)CCCNc1nc(NCC2CCC(CN)CC2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 3/20 0.57
KDM1A O60341 3/20 0.54
EHMT2 Q96KQ7 3/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
RCOR1 Q9UKL0 2/20 0.51
RAD52 P43351 4/20 0.51
POLB P06746 3/20 0.50
TOP2A P11388 2/20 0.50
CASP6 P55212 1/20 0.50
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
SLC2A1 P11166 1/20 0.49
APOBEC3A P31941 1/20 0.49
RAB9A P51151 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
FLT3 P36888 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ADRA2A P08913 1/20 0.48
NPY5R Q15761 1/20 0.48

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
SCHEMBL8907323 1.00 TRIM58 (0.57) TRIM58KDM1AEHMT2ALDH1A1MAPK1
SCHEMBL8898947 0.94 TLR9 (0.51) TRIM58KDM1AEHMT2ALDH1A1MAPK1
SCHEMBL8890083 0.90 POLB (0.55) TRIM58KDM1AEHMT2POLBTOP2A
SCHEMBL8908343 0.90 POLB (0.55) TRIM58KDM1AEHMT2POLBTOP2A
SCHEMBL8899135 0.87 TRIM58 (0.53) TRIM58KDM1AEHMT2ALDH1A1MAPK1
SCHEMBL8901747 0.86 TAAR1 (0.56) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL8898278 0.86 SOS1 (0.52) TRIM58ALDH1A1RAD52CASP6KMT2A
SCHEMBL8889084 0.85 CASP6 (0.50) TRIM58RAD52CASP6KMT2AADRA2A
SCHEMBL8898707 0.85 FLT3 (0.48) TRIM58POLBTOP2ACASP6SLC2A1
SCHEMBL8888887 0.85 TLR9 (0.51) TRIM58KDM1AEHMT2ALDH1A1MAPK1

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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO claimed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed