SCHEMBL17580583

SCHEMBL17580583

COC1=C(c2ccc(NC=O)c(OC(C)C)c2)CCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ SLC2A1 P11166 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ GAK O14976 1/20 0.32
▸ BRPF1 P55201 2/20 0.32
▸ MAP4K1 Q92918 2/20 0.32
▸ ERN1 O75460 1/20 0.31
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL15283617 0.84 DRD2 (0.38) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL15283626 0.80 HSD17B10 (0.39) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL15283575 0.77 SIRT6 (0.42) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL28436551 0.72 CHRM5 (0.36) HTR2ASIGMAR1
SCHEMBL17313486 0.71 CHRM5 (0.38) HTR6PDE4APDE4BPDE4CPDE4D
SCHEMBL15507823 0.71 TTK (0.55) ERN1TTK
SCHEMBL15283283 0.70 EGFR (0.42) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL17580433 0.70 HTT (0.47) HTT
SCHEMBL17580555 0.69 SYK (0.38) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL17580381 0.69 AAK1 (0.41) GAKERN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 — — EP disclosed
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