SCHEMBL10189101

SCHEMBL10189101

O=C1NC(=O)C(C2CCC(c3ccc(C4=CC=C(c5nc6cc(Cl)ccc6[nH]5)CC4)cc3)CC2)S1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.42
SOAT1 P35610 2/20 0.42
IDO1 P14902 1/20 0.31
CHEK2 O96017 1/20 0.31
KCNH2 Q12809 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL10189663 0.87 FASN (0.36)
SCHEMBL13163368 0.69 DGAT1 (0.49) DGAT1SOAT1CHEK2HRH4
SCHEMBL10189573 0.68 DGAT1 (0.55) DGAT1SOAT1CHEK2
SCHEMBL901150 0.66 DGAT1 (0.53) DGAT1SOAT1KCNH2
SCHEMBL10380302 0.65 HTR3E (0.46) CHEK2HRH4
SCHEMBL10188663 0.65 CYP2C9 (0.44) DGAT1CHEK2
SCHEMBL10188661 0.65 DGAT1 (0.46) DGAT1SOAT1KCNH2
SCHEMBL901616 0.65 DGAT1 (0.46) DGAT1SOAT1CHEK2
SCHEMBL7516682 0.63 RHEB (0.51) DGAT1SOAT1CHEK2
SCHEMBL10189566 0.62 DGAT1 (0.77) DGAT1SOAT1KCNH2

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-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed