SCHEMBL7399390

SCHEMBL7399390

CCOC(=O)CCC1CCN(C(=O)CN2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.42
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL7399572 0.90 MAPT (0.46) MAPTALDH1A1KDM4EPKMGFER
SCHEMBL7400122 0.85 KMT2A (0.51) MAPTALDH1A1PKMLMNAGAA
SCHEMBL7402405 0.85 ALDH1A1 (0.53) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL7401012 0.84 ALDH1A1 (0.41) MAPTALDH1A1KDM4EPKMGFER
SCHEMBL7401011 0.80 ALDH1A1 (0.41) MAPTALDH1A1KDM4EPKMGFER
Hydrochloric Acid SCHEMBL9023569 0.80 HTR7 (0.48) MAPTALDH1A1KDM4EHIF1ACYP3A4
SCHEMBL7393626 0.78 ITGB3 (0.57) MAPTALDH1A1KDM4EPKMGFER
Hydrochloric Acid SCHEMBL27457453 0.78 ALDH1A1 (0.49) MAPTALDH1A1KDM4EPKMGFER
SCHEMBL7787524 0.76 KDM4E (0.45) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL7790309 0.76 ITGB3 (0.57) MAPTALDH1A1KDM4EHIF1ALMNA

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