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SCHEMBL30206544

SCHEMBL30206544

O=C(c1ccccc1)N(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)CC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 1.00
▸ HTR2A P28223 7/20 1.00
▸ HTR1A P08908 5/20 1.00
▸ DRD3 P35462 7/20 0.58
▸ SLC6A4 P31645 3/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ HTR2C P28335 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ DRD4 P21917 1/20 0.52

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
SCHEMBL28972649 0.86 DRD2 (1.00) DRD2HTR2AHTR1ADRD3SLC6A4
SCHEMBL30206528 0.82 DRD2 (1.00) DRD2HTR2AHTR1ADRD3SLC6A4
SCHEMBL28972650 0.80 DRD2 (1.00) DRD2HTR2AHTR1ADRD3SLC6A4
SCHEMBL28972750 0.80 DRD2 (1.00) DRD2HTR2AHTR1ADRD3SLC6A4
SCHEMBL30206588 0.78 HTR1A (1.00) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL3411477 0.74 DRD2 (0.75) DRD2HTR2AHTR1ADRD3SLC6A4
SCHEMBL1491196 0.74 DRD2 (0.68) DRD2HTR2AHTR1ADRD3SLC6A4
SCHEMBL3187864 0.71 DRD2 (0.67) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL3162949 0.71 DRD2 (0.69) DRD2HTR2AHTR1ADRD3SLC6A4
SCHEMBL19580065 0.71 DRD3 (0.73) DRD2HTR2AHTR1ADRD3SLC6A4

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-110511215-B Aryl piperazine/piperidine compound and application thereof 复旦大学 2023-03-28 — — CN disclosed
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