SCHEMBL29675501

SCHEMBL29675501

COc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccc1OCCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.53
▸ HTR2A P28223 6/20 0.53
▸ HTR1A P08908 5/20 0.53
▸ DRD3 P35462 8/20 0.49
▸ FAAH O00519 1/20 0.49
▸ DRD4 P21917 8/20 0.47
▸ GAA P10253 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL28614767 1.00 DRD2 (0.53) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL29675647 0.91 DRD2 (0.55) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL28612182 0.91 DRD2 (0.55) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL28612063 0.90 DRD2 (0.54) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL29675223 0.90 DRD2 (0.54) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL28615750 0.89 DRD2 (0.53) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL29675349 0.89 DRD2 (0.53) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL29675111 0.86 DRD2 (0.53) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL28629153 0.86 DRD2 (0.53) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL29675427 0.85 DRD2 (0.55) DRD2HTR2AHTR1ADRD3FAAH

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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