SCHEMBL7400645

SCHEMBL7400645

COC(=O)Cc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HRH3 Q9Y5N1 4/20 0.50
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL7401847 0.89 MEN1 (0.50) MEN1KMT2AHRH3ALDH1A1POLB
SCHEMBL9080516 0.89 MEN1 (0.50) MEN1KMT2AHRH3ALDH1A1POLB
SCHEMBL7404732 0.89 HRH3 (0.51) MEN1KMT2AHRH3ALDH1A1POLB
SCHEMBL7397858 0.85 ITGB3 (0.53) MEN1KMT2AHRH3ALDH1A1POLB
Hydrochloric Acid SCHEMBL9023756 0.84 ITGB3 (0.52) MEN1KMT2AHRH3ALDH1A1POLB
SCHEMBL7401267 0.84 POLB (0.48) MEN1KMT2AHRH3ALDH1A1POLB
SCHEMBL7335436 0.84 HRH3 (0.59) MEN1KMT2AHRH3ALDH1A1POLB
SCHEMBL7401844 0.84 HRH3 (0.50) MEN1KMT2AHRH3ALDH1A1POLB
Water SCHEMBL27462629 0.84 POLB (0.54) MEN1KMT2AHRH3ALDH1A1POLB
SCHEMBL7401271 0.83 POLB (0.50) MEN1KMT2AHRH3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
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