SCHEMBL7399544

SCHEMBL7399544

COC(=O)C1CCCC(Oc2ccc(N3CCN(c4ccncc4)CC3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ACACB O00763 8/20 0.43
MAPT P10636 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HIF1A Q16665 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 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
SCHEMBL7399368 0.87 FFAR4 (0.46) ALDH1A1GAAACACBITGB3ITGA2B
SCHEMBL7398139 0.86 ALDH1A1 (0.49) ALDH1A1GAAACACBMAPTITGB3
SCHEMBL5759922 0.76 MAPT (0.62) ALDH1A1MAPTITGB3ITGA2BHRH3
SCHEMBL21673845 0.75 LATS1 (0.43) ALDH1A1ACACBMAPTKMT2A
SCHEMBL7402061 0.75 HRH3 (0.48) ALDH1A1GAAACACBITGB3ITGA2B
SCHEMBL31401390 0.74 KDM4E (0.46) ALDH1A1MAPTHIF1ASMN1; SMN2MEN1
SCHEMBL22252465 0.74 P2RX7 (0.54) MAPT
SCHEMBL7399602 0.73 FFAR4 (0.48) ALDH1A1HRH3SMN1; SMN2KMT2A
SCHEMBL8201212 0.73 ACACB (0.41) ACACBSMN1; SMN2
SCHEMBL7400365 0.72 ITGB3 (0.48) ACACBITGB3ITGA2BHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed