SCHEMBL29675359

SCHEMBL29675359

COc1cc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OCCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.51
▸ HTR2A P28223 5/20 0.51
▸ HTR1A P08908 3/20 0.48
▸ MCHR1 Q99705 2/20 0.46
▸ DRD3 P35462 5/20 0.45
▸ FAAH O00519 2/20 0.45
▸ DRD4 P21917 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL28629255 1.00 DRD2 (0.51) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL29675427 0.93 DRD2 (0.55) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL28617986 0.93 DRD2 (0.55) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL29675340 0.91 LMNA (0.51) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL28612609 0.91 LMNA (0.51) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL29675345 0.90 DRD2 (0.51) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL28615753 0.90 DRD2 (0.51) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL28629153 0.90 DRD2 (0.53) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL29675111 0.90 DRD2 (0.53) DRD2HTR2AHTR1AMCHR1DRD3
SCHEMBL29675230 0.90 DRD2 (0.52) DRD2HTR2AHTR1AMCHR1DRD3

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
CN-113292515-B Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2022-05-20 — — CN claimed
CN-113292515-B Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2022-05-20 — — CN disclosed
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