SCHEMBL9654252

SCHEMBL9654252

CCC(C)CN1CCC(c2ccsc2)C(COc2cccc(OC)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
DRD2 P14416 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FFAR1 O14842 4/20 0.35
DRD4 P21917 1/20 0.35
HTR1A P08908 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9094550 0.92 DRD2 (0.35) DRD2
SCHEMBL9093955 0.88 HRH3 (0.38) DRD2HRH3FFAR1HTR1AL3MBTL1
SCHEMBL9094482 0.88 HRH3 (0.38) DRD2HRH3FFAR1HTR1AL3MBTL1
SCHEMBL9093897 0.88 HRH3 (0.38) DRD2HRH3FFAR1HTR1AL3MBTL1
SCHEMBL9094537 0.84 CHRNB4 (0.42) CHRNB4CHRNA3DRD2HRH3DRD4
SCHEMBL9092839 0.83 HTR1A (0.47) TP53HTR1AL3MBTL1
SCHEMBL9093992 0.83 EPHX2 (0.34) HRH3DRD4HTR1A
SCHEMBL9095192 0.83 SLC6A5 (0.36) HRH3HTR1A
SCHEMBL9093960 0.78 LMNA (0.32) DRD2
SCHEMBL9094981 0.77 CCR5 (0.37) HRH3

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 3 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 disclosed
US-5102894-A Antihyporic, antiischemic, antiepileptic agents NOVO NORDISK A/S (DK) 1992-04-07 US disclosed
WO-1991009032-A1 PIPERIDINE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-06-27 WO disclosed