SCHEMBL1582678

SCHEMBL1582678

Fc1ccccc1-c1cncc(CNCCOc2cccc3[nH]ccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.61
▸ DRD4 P21917 4/20 0.61
▸ DRD3 P35462 4/20 0.61
▸ HTR1A P08908 7/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ HTR1B P28222 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ ADRA1A P35348 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
Hydrochloric Acid SCHEMBL1582324 0.99 DRD2 (0.60) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582402 0.92 DRD2 (0.57) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582925 0.92 DRD2 (0.57) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1582976 0.91 DRD2 (0.56) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1583031 0.91 DRD2 (0.56) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582640 0.88 DRD2 (0.59) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582251 0.87 DRD2 (0.61) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582569 0.87 DRD2 (0.70) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1582700 0.87 DRD2 (0.58) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1583046 0.87 DRD2 (0.58) DRD2DRD4DRD3HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292592-B1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GMBH (DE) 2011-04-20 — — EP claimed
EP-1292592-B1 HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS MERCK PATENT GMBH (DE) 2011-04-20 — — EP disclosed
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