SCHEMBL7328358

SCHEMBL7328358

CCCC(=O)Oc1c(N)cccc1OCCCC1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL7396282 0.95 F10 (0.39) F10HDAC3HDAC1FFAR4
SCHEMBL7494742 0.89 F10 (0.38) F10FFAR4
SCHEMBL7407562 0.83 ITGB3 (0.38) F10
SCHEMBL8637462 0.76 HRH3 (0.42) F10
Hydrochloric Acid SCHEMBL16816515 0.75 CYP1A2 (0.53)
SCHEMBL8605444 0.70 HRH3 (0.56)
SCHEMBL8637465 0.69 CYP2C9 (0.45) F10FFAR4
SCHEMBL7415294 0.69 GPR119 (0.53)
SCHEMBL8637204 0.69 HRH3 (0.44) F10
SCHEMBL8602212 0.68 ITGB3 (0.40) F10HDAC3HDAC1

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 4 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
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed