SCHEMBL7996540

SCHEMBL7996540

O=C(O)NCCNc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTTP P55157 15/20 0.53
APOB P04114 6/20 0.49
SMO Q99835 1/20 0.46
GAA P10253 1/20 0.45
DGAT1 O75907 1/20 0.45

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
SCHEMBL6795426 0.84 SMO (0.56) MTTPAPOBSMO
SCHEMBL6793489 0.82 SMO (0.62) MTTPAPOBSMO
SCHEMBL14465601 0.82 APOB (0.44) MTTPAPOBSMO
SCHEMBL6648279 0.80 MTTP (0.60) MTTPAPOB
SCHEMBL6805247 0.77 MTTP (0.49) MTTPAPOBSMOGAA
SCHEMBL6793203 0.77 TRPV1 (0.53) MTTPAPOBSMOGAA
SCHEMBL6495258 0.76 SMO (0.48) MTTPAPOBSMO
SCHEMBL31393757 0.76 CHRNB2 (0.71) MTTPAPOBGAA
SCHEMBL6794354 0.75 SMO (0.61) MTTPAPOBSMO
SCHEMBL6805714 0.75 MTTP (0.66) MTTP

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-2001077077-A1 SUBSTITUTED (HETERO)ARYL CARBOXAMIDE DERIVATIVES AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) SECRETION NOVARTIS AG (CH) 2001-10-18 WO disclosed