SCHEMBL11301230

SCHEMBL11301230

C(=CN1CCC(c2noc3ccccc23)CC1)Cc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ HTR1A P08908 9/20 0.42
▸ HTR2A P28223 9/20 0.42
▸ BCHE P06276 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL11045867 0.80 DRD2 (0.42) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL11045873 0.80 DRD2 (0.42) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL11249933 0.79 HTR1A (0.62) HTR1A
SCHEMBL4537434 0.74 SLC6A4 (0.51) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL11244224 0.71 HTR1A (0.51) DRD2HTR1A
SCHEMBL7186275 0.70 KDM4E (0.46) —
SCHEMBL23175425 0.70 DRD2 (0.46) DRD2HTR1AHTR2A
SCHEMBL15033122 0.70 DRD2 (0.48) DRD2HTR1AHTR2A
SCHEMBL10637706 0.70 DRD2 (0.55) DRD2HTR1AHTR2A
SCHEMBL10637150 0.70 DRD2 (0.50) DRD2HTR1AHTR2A

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
US-4352811-A NEUROLEPTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-10-05 — — US disclosed
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