SCHEMBL30080705

SCHEMBL30080705

Cc1ccc(Cl)cc1N1CCN(C/C=C\CNC(=O)c2ccc3c(c2)CC(=O)N3)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.52
DRD3 P35462 18/20 0.52
HTR1A P08908 5/20 0.51
HTR2A P28223 5/20 0.51
HTR2C P28335 5/20 0.51
DRD4 P21917 1/20 0.51
NTRK1 P04629 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
SCHEMBL30080729 0.94 DRD2 (0.51) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL28933676 0.84 NTRK1 (0.62) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL30080769 0.81 DRD3 (0.73) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL2316307 0.80 DRD2 (0.55) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL2318622 0.80 DRD2 (0.51) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL2314670 0.69 ALDH1A1 (0.67) HTR1A
SCHEMBL30080707 0.69 ALDH1A1 (0.67) HTR1A
SCHEMBL2314674 0.69 ALDH1A1 (0.67) HTR1A
SCHEMBL2316128 0.69 ALDH1A1 (0.67) HTR1A
SCHEMBL8919663 0.68 SMYD3 (0.53)

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
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN disclosed