SCHEMBL10801105

SCHEMBL10801105

CCn1nc(-c2cccs2)c2c1CCN(CCCC(=O)c1ccc(F)cc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.49
▸ DRD3 P35462 3/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ HRH1 P35367 2/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ TSHR P16473 1/20 0.46
▸ APAF1 O14727 1/20 0.45
▸ HTR5A P47898 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL10805772 0.89 KCNK3 (0.53) HTR1ADRD3DRD2HTR2AHRH1
SCHEMBL10799600 0.86 HTR1A (0.53) HTR1ADRD3DRD2HTR2AHRH1
SCHEMBL10803089 0.80 ADORA1 (0.43) DRD3DRD2TSHRKDM4EHSD17B10
SCHEMBL10805409 0.80 HTR1A (0.54) HTR1ADRD3DRD2HTR2AHRH1
SCHEMBL10805648 0.77 KCNK3 (0.60) HTR1ADRD3DRD2HTR2AHRH1
SCHEMBL10799991 0.76 KCNK3 (0.68) HTR1ADRD3DRD2HTR2AHRH1
Hydrochloric Acid SCHEMBL10814988 0.76 KCNK3 (0.67) HTR1ADRD3DRD2HTR2AHRH1
SCHEMBL10803941 0.74 DRD2 (0.56) HTR1ADRD3DRD2HTR2AHRH1
SCHEMBL10814900 0.73 HTR5A (0.51) HTR5A
SCHEMBL10621004 0.69 HTR1A (0.69) HTR1ADRD3DRD2HTR2AHRH1

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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