SCHEMBL10109623

SCHEMBL10109623

Cc1ccc(N(c2ccc(-c3ccc4c(c3)CCO4)cc2)C2CCC(c3cccc(-c4ccccc4)c3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
DYRK1A Q13627 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
FFAR1 O14842 1/20 0.34
FABP4 P15090 6/20 0.34
FABP3 P05413 3/20 0.33
ERN1 O75460 2/20 0.33
SLC6A9 P48067 1/20 0.33
FABP5 Q01469 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL10109582 0.74 SIGMAR1 (0.38) KDM1A
SCHEMBL10109604 0.74 KMO (0.35)
SCHEMBL8377504 0.73 KDM4E (0.45)
SCHEMBL19188073 0.73 DYRK1A (0.58) DYRK1AFFAR1FABP4ERN1
SCHEMBL15749928 0.72 DYRK1A (0.60) KCNH2DYRK1APTGES2FFAR1FABP4
SCHEMBL8263628 0.70 DYRK1A (0.54) DYRK1APTGES2FFAR1FABP4FABP3
SCHEMBL10109594 0.69 MEN1 (0.37) MAOAMAOB
SCHEMBL10282948 0.67 PRKCI (0.47) DYRK1AKDM1AMAOAMAOBERN1
SCHEMBL10109544 0.67 PTGS2 (0.39) BRD4
SCHEMBL27948099 0.66 NPC1 (0.48) KCNH2KDM1AMAOA

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
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed