SCHEMBL10799991

SCHEMBL10799991

O=C(CCCN1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccccc2)C1)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 4/20 0.68
▸ HTR1A P08908 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ HTR2B P41595 1/20 0.54

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 SCHEMBL10814988 0.99 KCNK3 (0.67) KCNK3HTR1ADRD2HTR2AHTR7
SCHEMBL10805648 0.95 KCNK3 (0.60) KCNK3HTR1ADRD2HTR2AHTR7
SCHEMBL10805772 0.88 KCNK3 (0.53) KCNK3HTR1ADRD2HTR2AHTR7
SCHEMBL10805409 0.87 HTR1A (0.54) KCNK3HTR1ADRD2HTR2AHTR7
SCHEMBL10799600 0.87 HTR1A (0.53) HTR1ADRD2HTR2AHTR7HRH1
SCHEMBL14786430 0.87 KCNK3 (0.72) KCNK3
SCHEMBL10803941 0.85 DRD2 (0.56) KCNK3HTR1ADRD2HTR2AHTR7
SCHEMBL10805187 0.85 KCNK3 (0.61) KCNK3
SCHEMBL10805153 0.83 KCNK3 (0.63) KCNK3
SCHEMBL10818479 0.83 KCNK3 (0.58) KCNK3

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-0086422-B1 PHARMACOLOGICALLY ACTIVE PYRAZOLO(4,3-C)PYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1987-09-30 — — EP disclosed
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