SCHEMBL4742861

SCHEMBL4742861

O=C(Nc1ccc2c(c1)CN(C(=O)Cn1cccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.45
▸ APOB P04114 9/20 0.43
▸ MTTP P55157 8/20 0.43
▸ WNT3A P56704 1/20 0.42
▸ PTGES O14684 4/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 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
SCHEMBL6644649 0.77 NAMPT (0.42) SMOPTGESNAMPTLMNAPOLB
SCHEMBL6644330 0.76 SMO (0.49) SMOAPOBMTTPLMNA
SCHEMBL6648505 0.72 LMNA (0.48) SMOAPOBMTTPLMNAPOLB
SCHEMBL6649355 0.71 NAMPT (0.41) NAMPT
SCHEMBL6644922 0.71 RAB9A (0.43) NAMPTPOLB
SCHEMBL6971759 0.69 SMO (0.56) SMOAPOBMTTPNAMPTLMNA
SCHEMBL6646034 0.68 APOB (0.48) SMOAPOBMTTPNAMPTLMNA
SCHEMBL6648330 0.68 SCN10A (0.42) NAMPTLMNAPOLB
SCHEMBL6646925 0.68 GFER (0.40) NAMPTLMNA
SCHEMBL6966884 0.68 APOB (0.61) SMOAPOBMTTPLMNA

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
WO-2008090198-A1 USE OF MTP INHIBITORS FOR INCREASING LEVELS OF SATIETY HORMONES JANSSEN PHARMACEUTICA NV (BE) 2008-07-31 — — WO claimed
WO-2008090198-A1 USE OF MTP INHIBITORS FOR INCREASING LEVELS OF SATIETY HORMONES JANSSEN PHARMACEUTICA NV (BE) 2008-07-31 — — WO disclosed
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