SCHEMBL10568708

SCHEMBL10568708

COc1ccccc1N1CCN(CCCOc2cccc3c2N(C(=O)c2cccnc2)CCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DRD2 P14416 6/20 0.50
HTR2A P28223 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD3 P35462 3/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
PIM1 P11309 1/20 0.48
GSK3B P49841 1/20 0.48

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
Hydrochloric Acid SCHEMBL10568635 0.99 POLB (0.51) POLBHSD17B10DRD2HTR2AKDM4E
SCHEMBL10573458 0.87 POLB (0.51) POLBHSD17B10KDM4EALDH1A1MEN1
SCHEMBL10570788 0.85 ABCB1 (0.45) POLBHSD17B10KDM4EALDH1A1
SCHEMBL10568697 0.81 DRD2 (0.52) DRD2HTR2ADRD3DRD1DRD4
Hydrochloric Acid SCHEMBL10572689 0.80 POLB (0.55) POLBHSD17B10ALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL10573767 0.80 KDM4E (0.48) POLBHSD17B10KDM4EALDH1A1TDP1
SCHEMBL10652857 0.78 POLB (0.51) POLBHSD17B10KDM4EALDH1A1TDP1
SCHEMBL10570434 0.77 POLB (0.50) POLBHSD17B10ALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL10580619 0.77 KDM4E (0.49) POLBHSD17B10DRD2HTR2AKDM4E
SCHEMBL10570429 0.77 POLB (0.49) POLBHSD17B10ALDH1A1MEN1KMT2A

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-4845099-A ANTIARRHYTHMIA AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US claimed
US-4845099-A ANTIARRHYTHMIA AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed