SCHEMBL14047595

SCHEMBL14047595

CC1N=C(N2CCN(Cc3ccccc3)C2=O)SC1C(=O)NCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.56
▸ CACNA1I Q9P0X4 3/20 0.46
▸ HDAC1 Q13547 2/20 0.43
▸ ELANE P08246 2/20 0.43
▸ CACNA1G O43497 3/20 0.42
▸ CACNA1H O95180 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14047539 0.95 SCD (0.53) SCDCACNA1IHDAC1CACNA1GCACNA1H
SCHEMBL14047625 0.90 SCD (0.57) SCDCACNA1IHDAC1CACNA1GCACNA1H
SCHEMBL14047400 0.90 SCD (0.57) SCDCACNA1IHDAC1CACNA1GCACNA1H
SCHEMBL14047603 0.88 SCD (0.57) SCDCACNA1ICACNA1GCACNA1HALDH1A1
SCHEMBL14047531 0.85 SCD (0.41) SCDCACNA1ICACNA1GCACNA1HCYP3A4
SCHEMBL14047581 0.84 ALDH1A1 (0.45) SCDCACNA1ICACNA1GCACNA1HCYP3A4
SCHEMBL14047421 0.82 SCD (0.59) SCDHDAC1HPGDALDH1A1
SCHEMBL14047407 0.81 SCD (0.44) SCDALDH1A1
SCHEMBL14047404 0.81 SCD (0.47) SCDHDAC1
SCHEMBL14047409 0.79 SCD (0.47) SCDHDAC1

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
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 — — WO disclosed
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