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SCHEMBL14748264

SCHEMBL14748264

Cc1ccc2c(N3CCN(CCC4CCCCC4)CC3)noc2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 15/20 0.50
▸ DRD3 P35462 7/20 0.50
▸ DRD2 P14416 14/20 0.46
▸ HTR1A P08908 4/20 0.44
▸ HTR7 P34969 3/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ CHRNA7 P36544 2/20 0.41
▸ HTR3A P46098 2/20 0.41

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
SCHEMBL14735704 0.89 HTR2A (0.51) HTR2ADRD3DRD2HTR1AHTR7
SCHEMBL13013927 0.89 HTR2A (0.51) HTR2ADRD3DRD2HTR1AHTR7
SCHEMBL14748221 0.89 HTR2A (0.51) HTR2ADRD3DRD2HTR1AHTR7
Hydrochloric Acid SCHEMBL1971355 0.88 HTR2A (0.50) HTR2ADRD3DRD2HTR1AHTR7
Hydrochloric Acid SCHEMBL1971354 0.88 HTR2A (0.50) HTR2ADRD3DRD2HTR1AHTR7
SCHEMBL14748231 0.87 HTR2A (0.51) HTR2ADRD3DRD2HTR1A
SCHEMBL13448469 0.84 HTR1A (0.56) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL13448472 0.82 HTR2A (0.48) HTR2ADRD3DRD2HTR1AHTR7
SCHEMBL1968071 0.82 HTR2A (0.65) HTR2ADRD3DRD2HTR1A
SCHEMBL3453376 0.82 HTR2A (0.65) HTR2ADRD3DRD2HTR1A

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
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 — — EP disclosed