SCHEMBL7088909

SCHEMBL7088909

CC(C)CCC(=O)NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.48
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 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
SCHEMBL1675734 0.81 F10 (0.54) F10
SCHEMBL7086594 0.80 KDM4E (0.65) F10KDM4EALDH1A1HPGDTSHR
SCHEMBL785158 0.79 F10 (0.53) F10ITGB3ITGA2B
SCHEMBL7091228 0.77 F10 (0.54) F10KDM4EALDH1A1HPGDTSHR
SCHEMBL7089014 0.76 F10 (0.55) F10
SCHEMBL5224676 0.76 HDAC3 (0.48) F10
SCHEMBL7751783 0.76 CNR1 (0.51) ALDH1A1
SCHEMBL7090030 0.75 F10 (0.59) F10KDM4E
SCHEMBL5868061 0.75 CYP2D6 (0.50) F10KDM4EALDH1A1HPGDTSHR
SCHEMBL27259447 0.75 HTR4 (0.43) HRH3KDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP claimed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO claimed