SCHEMBL29898495

SCHEMBL29898495

C[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 16/20 0.72
▸ DRD1 P21728 8/20 0.72
▸ CHRM1 P11229 6/20 0.72
▸ CHRM2 P08172 3/20 0.72
▸ CHRM4 P08173 3/20 0.72
▸ CHRM5 P08912 3/20 0.72
▸ CHRM3 P20309 3/20 0.72
▸ DRD4 P21917 3/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ CYP2D6 P10635 2/20 0.72
▸ KCNH2 Q12809 2/20 0.72
▸ HRH4 Q9H3N8 2/20 0.72
▸ DRD3 P35462 2/20 0.72
▸ ADRA1D P25100 2/20 0.72
▸ HTR2A P28223 2/20 0.72
▸ HTR2C P28335 2/20 0.72
▸ ADRA1A P35348 2/20 0.72
▸ HRH1 P35367 2/20 0.72
▸ ADRA1B P35368 2/20 0.72

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
SCHEMBL9014028 1.00 DRD2 (0.72) DRD2DRD1CHRM1CHRM2CHRM4
SCHEMBL29447350 1.00 DRD2 (0.72) DRD2DRD1CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL30464869 0.99 DRD2 (0.71) DRD2DRD1CHRM1CHRM2CHRM4
Iodide SCHEMBL18639888 0.90 DRD2 (0.73) DRD2DRD1CHRM1CHRM2CHRM4
SCHEMBL18257470 0.89 DRD2 (0.72) DRD2DRD1CHRM1CHRM2CHRM4
SCHEMBL20887469 0.87 DRD2 (0.88) DRD2DRD1CHRM1CHRM2CHRM4
SCHEMBL3411429 0.85 DRD2 (0.78) DRD2DRD1CHRM1CHRM2CHRM4
Clozapine SCHEMBL8397 0.84 DRD2 (1.00) DRD2DRD1CHRM1CHRM2CHRM4
Clozapine SCHEMBL5501558 0.84 DRD2 (1.00) DRD2DRD1CHRM1CHRM2CHRM4
Clozapine SCHEMBL20876213 0.84 DRD2 (1.00) DRD2DRD1CHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118807068-A Novel targets for the treatment or diagnosis of mood disorders or stress disorders and uses thereof 浙江大学 2024-10-22 — — CN disclosed
WO-2023202682-A1 NOVEL TARGET FOR TREATING OR DIAGNOSING EMOTIONAL DISORDERS OR STRESS DISORDERS, AND APPLICATION THEREOF 浙江大学 2023-10-26 — — WO disclosed
CN-115141803-B Method for obtaining myeloglutamatergic interneurons by induction of human pluripotent stem cells and application thereof 武汉泓宸创新生物科技有限公司 2023-09-01 — — CN disclosed
CN-116672466-A Application of M1 zone neuron activity inhibitor in preparation of ischemic cerebral apoplexy prevention and treatment drugs 山东大学 2023-09-01 — — CN disclosed
WO-2023108485-A1 METHOD FOR REGULATING HETEROGENEITY OF VASCULAR ENDOTHELIAL CELLS BY MEANS OF LOCUS COERULEUS AND PERIPHERAL REGION THEREOF 中国科学院深圳先进技术研究院 2023-06-22 — — WO disclosed
WO-2023019565-A1 METHOD FOR CONTROLLING HETEROGENEITY OF VASCULAR ENDOTHELIAL CELLS BY USING SYMPATHETIC NERVES 中国科学院深圳先进技术研究院 2023-02-23 — — WO disclosed
CN-115141803-A Method for obtaining glutamatergic interneurons of spinal cord by inducing human pluripotent stem cells and application thereof 华中科技大学同济医学院附属同济医院 2022-10-04 — — CN disclosed
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