SCHEMBL20054585

SCHEMBL20054585

O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cccnc4)cc3)o2)cc1)[C@@H]1CCCCN1C(=O)Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
RXFP3 Q9NSD7 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA7 P36544 4/20 0.42
KCNH2 Q12809 4/20 0.42
TRPV1 Q8NER1 1/20 0.42
NAMPT P43490 3/20 0.41
FKBP1A P62942 1/20 0.41

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
SCHEMBL2197337 0.98 HCRTR1 (0.45) MEN1KMT2AHCRTR1HCRTR2RXFP3
SCHEMBL20054584 0.95 MEN1 (0.45) MEN1KMT2AHCRTR1HCRTR2RXFP3
SCHEMBL12488545 0.94 ALDH1A1 (0.42) MEN1KMT2AHCRTR1HCRTR2RXFP3
SCHEMBL2179845 0.94 ALDH1A1 (0.42) MEN1KMT2AHCRTR1HCRTR2RXFP3
SCHEMBL2193840 0.88 HSD17B10 (0.53) MEN1KMT2AHCRTR1HCRTR2ALDH1A1
SCHEMBL2195941 0.88 HSD17B10 (0.53) MEN1KMT2AHCRTR1HCRTR2ALDH1A1
SCHEMBL15125394 0.85 FKBP1A (0.40) MEN1KMT2AHCRTR1HCRTR2RXFP3
SCHEMBL27896406 0.84 PORCN (0.39) MEN1KMT2AHCRTR1HCRTR2RXFP3
SCHEMBL12489099 0.84 ALDH1A1 (0.50) MEN1KMT2AHCRTR1HCRTR2ALDH1A1
SCHEMBL2175697 0.84 ALDH1A1 (0.50) MEN1KMT2AHCRTR1HCRTR2ALDH1A1

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
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed