SCHEMBL7474319

SCHEMBL7474319

CCOC1OC(=O)CC1N(CCCc1cc(OC)c(OC)c(OC)c1)C(=O)C(CC(N)=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2C P28335 1/20 0.32
AOC3 Q16853 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
FKBP1A P62942 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL7481736 0.70 KMT2A (0.34) KMT2AFKBP1AMEN1
SCHEMBL11016507 0.61 HTR2A (0.58) KMT2AHTR2AHTR2BHTR2CAOC3
SCHEMBL10959061 0.60 TUBB4A (0.56) KMT2AHTR2AHTR2BHTR2CAOC3
SCHEMBL2930056 0.58 HTR2A (0.59) KMT2AHTR2AHTR2BHTR2CAOC3
SCHEMBL5568951 0.57 PTGS2 (0.63) KMT2AHTR2AHTR2BHTR2CAOC3
SCHEMBL9306683 0.56 AOC3 (0.64) HTR2AHTR2BHTR2CAOC3
SCHEMBL5514786 0.56 PTGS2 (0.61) HTR2AHTR2BHTR2CAOC3
SCHEMBL7478153 0.56 L3MBTL1 (0.43) KMT2AMEN1
SCHEMBL8330517 0.56 ALDH1A1 (0.48) KMT2AHTR2AHTR2BHTR2CMEN1
SCHEMBL7424861 0.55 HTR2A (0.69) HTR2AHTR2BHTR2CAOC3ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 EP disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 WO disclosed