SCHEMBL14601907

SCHEMBL14601907

Cc1cc(C(F)(F)F)c(NC(=O)CN2CCN(CCSc3nc4cccc(C(F)(F)F)c4o3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 16/20 0.56
CETP P11597 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL301705 0.92 SOAT1 (0.54) SOAT1ALDH1A1MAPK1
SCHEMBL4516627 0.88 SOAT1 (0.74) SOAT1CETPKDM4EALDH1A1MAPT
SCHEMBL6283739 0.88 SOAT1 (0.60) SOAT1CETPKDM4EALDH1A1MAPT
SCHEMBL5623843 0.88 SOAT1 (0.73) SOAT1
SCHEMBL6282761 0.87 SOAT1 (0.65) SOAT1
Hydrochloric Acid SCHEMBL6654764 0.86 SOAT1 (0.64) SOAT1
SCHEMBL6280562 0.86 SOAT1 (0.58) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL5622111 0.86 SOAT1 (0.50) SOAT1ALDH1A1MAPT
SCHEMBL4513155 0.85 SOAT1 (0.50) SOAT1CETPKDM4EALDH1A1MAPT
SCHEMBL6280584 0.85 SOAT1 (0.63) SOAT1

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
US-7163944-B2 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2007-01-16 US disclosed