SCHEMBL7400283

SCHEMBL7400283

COC(=O)COc1ccc(C(=O)CN2CCN(c3ccnc4ccccc34)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
PDGFRB P09619 1/20 0.48
KDR P35968 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 1/20 0.44
METAP1 P53582 1/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7404796 0.89 MAPT (0.58) MAPTPDGFRBKDRALDH1A1LMNA
SCHEMBL7402473 0.86 MAPT (0.79) MAPTKDRALDH1A1LMNAMETAP1
SCHEMBL7400458 0.80 ALDH1A1 (0.42) MAPTKDRALDH1A1LMNATSHR
SCHEMBL7335436 0.79 HRH3 (0.59) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL7398310 0.77 MEN1 (0.49) MAPTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL7403264 0.77 MAPT (0.80) MAPTKDRALDH1A1LMNAMETAP1
SCHEMBL7404640 0.76 ALDH1A1 (0.45) KDRALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL7395642 0.75 MAPT (0.52) MAPTALDH1A1LMNATSHRKDM4E
SCHEMBL8237815 0.73 MAPT (1.00) MAPTKDRALDH1A1LMNATSHR
SCHEMBL7399086 0.72 SLC22A12 (0.49) MAPTPDGFRBALDH1A1METAP1KDM4E

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