SCHEMBL14047539

SCHEMBL14047539

CC1N=C(N2CCN(Cc3ccccc3)C2=O)SC1C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.53
▸ CACNA1G O43497 4/20 0.45
▸ CACNA1H O95180 4/20 0.45
▸ CACNA1I Q9P0X4 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL14047595 0.95 SCD (0.56) SCDCACNA1GCACNA1HCACNA1IHPGD
SCHEMBL14047625 0.94 SCD (0.57) SCDCACNA1GCACNA1HCACNA1IHPGD
SCHEMBL14047400 0.94 SCD (0.57) SCDCACNA1GCACNA1HCACNA1IHPGD
SCHEMBL14047603 0.91 SCD (0.57) SCDCACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL14047581 0.88 ALDH1A1 (0.45) SCDCACNA1GCACNA1HCACNA1IHPGD
SCHEMBL14047531 0.88 SCD (0.41) SCDCACNA1GCACNA1HCACNA1IHPGD
SCHEMBL14047407 0.85 SCD (0.44) SCDALDH1A1KDM4E
SCHEMBL14047421 0.84 SCD (0.59) SCDHPGDHDAC1ALDH1A1KMT2A
SCHEMBL14047582 0.83 ALDH1A1 (0.41) SCDALDH1A1POLBCYP2C9CYP2C19
SCHEMBL14047409 0.81 SCD (0.47) SCDHDAC1KDM4EPOLB

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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