SCHEMBL7220213

SCHEMBL7220213

Nc1ccccc1NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
F10 P00742 8/20 0.47
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CHKA P35790 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRIN2B Q13224 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
EED O75530 1/20 0.38

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
SCHEMBL7250918 0.87 F10 (0.43) HDAC3HDAC1F10KDM1AMAOB
SCHEMBL7870016 0.82 HDAC1 (0.58) HDAC3HDAC1F10HDAC4HDAC7
SCHEMBL5758735 0.79 F10 (0.46) F10CYP2C9
SCHEMBL977627 0.78 PTGER4 (0.47) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL30693377 0.78 PTGER4 (0.47) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL3876083 0.77 NSD2 (0.48) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7406978 0.77 HDAC3 (0.55) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5224676 0.75 HDAC3 (0.48) HDAC3HDAC1F10
SCHEMBL20837293 0.75 MAPT (0.53) HDAC3HDAC1HDAC2CYP2D6CYP2C9
SCHEMBL5634334 0.75 F10 (0.47) HDAC3HDAC1F10KDM1AMAOB

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-6610704-B1 Inhibit factor Xa ELI LILLY AND COMPANY 2003-08-26 US disclosed
EP-1140881-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039111-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed