SCHEMBL8554648

SCHEMBL8554648

Nc1c(NC(=O)CC23CCCN2CCC3)cnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
BCHE P06276 8/20 0.41
RAB9A P51151 1/20 0.36
PIM2 Q9P1W9 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL8554243 0.81 BCHE (0.37) BCHEPIM2
SCHEMBL10840605 0.73 KCNH2 (0.66) KCNH2RAB9AKDM1A
SCHEMBL27891349 0.71 HSD17B10 (0.46) KCNH2BCHERAB9A
SCHEMBL18183187 0.70 KDM4E (0.50) BCHERAB9A
SCHEMBL8554096 0.69 HRH3 (0.39) KCNH2RAB9AKDM1A
SCHEMBL15551940 0.69 KCNH2 (0.74) KCNH2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL8558959 0.68 HRH3 (0.38) KCNH2RAB9AKDM1A
SCHEMBL8556303 0.67 RAB9A (0.38) RAB9A
Pilsicainide SCHEMBL142244 0.66 KCNH2 (1.00) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8555094 0.66 HRH3 (0.38) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US claimed
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP disclosed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed