SCHEMBL6209531

SCHEMBL6209531

CCCCOC(=O)Oc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.61
FAAH O00519 1/20 0.58
LMNA P02545 4/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 3/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
CCNC P24863 1/20 0.53
CDK8 P49336 1/20 0.53
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL9521880 0.84 CCNC (0.58) KMT2AFAAHLMNAMAPTMEN1
Hydrochloric Acid SCHEMBL9839090 0.83 CCNC (0.57) KMT2AFAAHLMNAMAPTMEN1
SCHEMBL11200179 0.83 KMT2A (0.48) KMT2AL3MBTL1FAAHMAPTMEN1
SCHEMBL730122 0.81 TSHR (0.56) L3MBTL1FAAHLMNATSHRALDH1A1
SCHEMBL27800285 0.80 TSHR (0.54) L3MBTL1FAAHLMNATSHRALDH1A1
SCHEMBL6604392 0.79 KMT2A (0.60) KMT2AL3MBTL1FAAHLMNACYP2C9
SCHEMBL29852314 0.79 KMT2A (0.60) KMT2AL3MBTL1FAAHLMNACYP2C9
SCHEMBL6294601 0.79 KMT2A (0.57) KMT2ALMNACYP2C9CYP2C19TSHR
SCHEMBL9422667 0.78 KMT2A (0.59) KMT2AL3MBTL1FAAHLMNACYP2C9
SCHEMBL5132689 0.78 MAPT (0.48) KMT2AL3MBTL1LMNACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed
EP-0281789-B1 BENZYLAMINOARYLDIHYDROPYRIDINE LACTONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1991-04-17 EP disclosed
EP-0157324-B1 TETRAHYDROTHIENOPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATION BAYER AG (DE) 1988-08-31 EP disclosed