SCHEMBL7777370

SCHEMBL7777370

O=C(CCO)NCCNCCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
ALDH1A1 P00352 4/20 0.40
CNR1 P21554 4/20 0.39
GAA P10253 1/20 0.38
TRPV1 Q8NER1 2/20 0.36
SELP P16109 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
KCNK3 O14649 1/20 0.36
CNR2 P34972 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7777366 0.86 NAAA (0.38) NAAAALDH1A1CNR1GAATRPV1
SCHEMBL622441 0.85
SCHEMBL16120784 0.85 CASP2 (0.53) NAAAALDH1A1CNR1TRPV1SELP
SCHEMBL7775619 0.83 ALDH1A1 (0.36) NAAAALDH1A1CNR1GAAMEN1
SCHEMBL9633843 0.81 NAAA (0.56) NAAAALDH1A1CNR1TRPV1SELP
SCHEMBL7775615 0.81 ALDH1A1 (0.34) NAAAALDH1A1CNR1GAAMEN1
SCHEMBL21505016 0.80 CNR1 (0.46) NAAAALDH1A1CNR1GAATRPV1
SCHEMBL13876077 0.80 SELP (0.51) NAAAALDH1A1CNR1TRPV1SELP
SCHEMBL22203694 0.79 HDAC6 (0.35) NAAAALDH1A1CNR1GAAMEN1
SCHEMBL10966458 0.79 MEN1 (0.56) NAAAALDH1A1CNR1TRPV1SELP

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-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed