SCHEMBL7089014

SCHEMBL7089014

O=C(Cc1ccc(O)cc1)NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.55
ME3 Q16798 1/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1I Q9P0X4 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
SCHEMBL7090030 0.89 F10 (0.59) F10
SCHEMBL7091228 0.89 F10 (0.54) F10ME3NPC1RAB9A
SCHEMBL785158 0.79 F10 (0.53) F10
SCHEMBL1675734 0.78 F10 (0.54) F10
SCHEMBL5224676 0.78 HDAC3 (0.48) F10
SCHEMBL7086594 0.78 KDM4E (0.65) F10NPC1
SCHEMBL7088909 0.76 F10 (0.48) F10
SCHEMBL5803092 0.76 F10 (0.58) F10
SCHEMBL5868061 0.75 CYP2D6 (0.50) F10
SCHEMBL803332 0.72 CKS1B (0.56) 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