SCHEMBL7091228

SCHEMBL7091228

O=C(Cc1ccccc1)NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.54
ME3 Q16798 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MCL1 Q07820 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
KDM4E B2RXH2 3/20 0.50
RPS6KB1 P23443 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
NR4A1 P22736 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL7089014 0.89 F10 (0.55) F10ME3NPC1RAB9A
SCHEMBL7086594 0.88 KDM4E (0.65) F10ALDH1A1MAPTNPC1KDM4E
SCHEMBL7090030 0.88 F10 (0.59) F10KDM4ELMNA
SCHEMBL5224676 0.84 HDAC3 (0.48) F10
SCHEMBL5868061 0.83 CYP2D6 (0.50) F10ALDH1A1MAPTMCL1KDM4E
SCHEMBL785158 0.83 F10 (0.53) F10
SCHEMBL2409477 0.80 NPC1 (0.60) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL1675734 0.79 F10 (0.54) F10
SCHEMBL5867995 0.79 GRIN2B (0.48) F10ALDH1A1KDM4EHPGDTSHR
SCHEMBL5224681 0.78 F10 (0.45) F10

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 disclosed
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 disclosed