SCHEMBL9655196

SCHEMBL9655196

CCC(CCN1CCC(c2ccsc2)CC1)COc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.44
HRH2 P25021 9/20 0.44
HRH1 P35367 9/20 0.44
SIGMAR1 Q99720 3/20 0.40
MEN1 O00255 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
SCHEMBL9655435 0.89 DRD2 (0.49) HRH3
SCHEMBL9653371 0.83 KDM4E (0.45) HRH3HRH1SIGMAR1
SCHEMBL9654170 0.82 DRD2 (0.50) HRH3
SCHEMBL5083239 0.74 DRD2 (0.56) HRH3SIGMAR1
SCHEMBL5076789 0.72 ADRA1D (0.50) HRH3SIGMAR1MEN1
SCHEMBL11523258 0.72 HRH3 (0.39) HRH3HRH2HRH1
SCHEMBL11523252 0.72 HRH3 (0.39) HRH3HRH2HRH1
SCHEMBL9912154 0.70 DRD2 (0.44) HRH3
SCHEMBL9094149 0.70 HRH3 (0.44) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL9094096 0.70 HRH3 (0.44) HRH3HRH2HRH1SIGMAR1MEN1

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-0505465-A1 PIPERIDINE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-30 EP claimed
WO-1991009032-A1 PIPERIDINE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-06-27 WO claimed