SCHEMBL7404196

SCHEMBL7404196

O=C(O)COc1ccc(C(=O)CN2CCN(c3ccnc4c3CCCC4)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 5/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KDR P35968 1/20 0.38
NPC1 O15118 1/20 0.37
ABCB1 P08183 1/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL7400458 0.89 ALDH1A1 (0.42) HRH3MAPTALDH1A1KDM4EHTT
SCHEMBL7404796 0.79 MAPT (0.58) MAPTALDH1A1KDM4EHTTTSHR
SCHEMBL7327928 0.76 HRH3 (0.59) HRH3ALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL8605546 0.74 MEN1 (0.48) HRH3MAPTALDH1A1ITGB3ITGA2B
SCHEMBL7397082 0.74 LOXL2 (0.45) HRH3ALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL8654154 0.73 SLC27A1 (0.37) MAPTALDH1A1KDM4ETSHRLMNA
SCHEMBL7403964 0.72 MAPT (0.54) HRH3MAPTALDH1A1ITGB3ITGA2B
SCHEMBL7403264 0.71 MAPT (0.80) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL7400283 0.69 MAPT (0.58) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL7399638 0.67 HRH3 (0.58) HRH3MAPTALDH1A1ITGB3ITGA2B

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