SCHEMBL4767346

SCHEMBL4767346

CN(C)CCCOc1n[c]c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.50
HTR1B P28222 2/20 0.46
HRH4 Q9H3N8 1/20 0.41
LSS P48449 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
SLC2A1 P11166 1/20 0.40
APOBEC3A P31941 1/20 0.40
RAD52 P43351 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL6274930 0.81 TSHR (0.46) POLBKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL23069194 0.79 ALDH1A1 (0.39) POLBRAD52RAB9AKDM4EALDH1A1
SCHEMBL23069165 0.75 SCN9A (0.30)
SCHEMBL5741306 0.74 TOP2A (0.50) TOP2AHTR1BHRH4LSSNPC1
SCHEMBL4949209 0.73 ATP4A (0.45) TOP2ANPC1POLBRAB9AHRH3
SCHEMBL7976287 0.73 POLB (0.42) NPC1POLBRAB9AKMT2AKDM4E
SCHEMBL23069184 0.68 NUDT1 (0.49) POLBRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL22837835 0.67 LSS (0.47) TOP2AHTR1BLSSHRH3HRH1
SCHEMBL4949283 0.66 ATP4A (0.41) NPC1POLBRAB9AKMT2AKDM4E
SCHEMBL23069196 0.66 ACP1 (0.36) NPC1RAB9AKMT2AKDM4EALDH1A1

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-1881976-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS Amgen Inc., (US) 2008-01-30 EP disclosed
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 WO disclosed