SCHEMBL9655545

SCHEMBL9655545

CC(CO)C(C)CN1CCC(c2ccsc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.41
CCR2 P41597 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PRCP P42785 2/20 0.34
CCR5 P51681 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9652004 0.78 DRD2 (0.43) MEN1KMT2ADRD2
SCHEMBL9912154 0.76 DRD2 (0.44) SLC18A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9654191 0.75 CCR2 (0.42) SLC18A3CCR2PRCPCCR5DRD2
SCHEMBL9910975 0.71 QDPR (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL9811479 0.69 SIGMAR1 (0.50) SLC18A3CCR2PRCPKMT2ADRD2
SCHEMBL28713027 0.66 ESR2 (0.55) SLC18A3CHRM1
SCHEMBL6184621 0.66 CHRM1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9093960 0.65 LMNA (0.32) SLC18A3CCR5DRD2LMNA
SCHEMBL9811419 0.65 CCR2 (0.40) SLC18A3CCR2PRCPCCR5DRD2
SCHEMBL3089324 0.65

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-0502024-A1 4-HETEROARYL PIPERIDINE INTERMEDIATES AND THEIR PREPARATION. NOVO NORDISK AS (DK) 1992-09-09 EP claimed
WO-1991007398-A1 4-HETEROARYL PIPERIDINE INTERMEDIATES AND THEIR PREPARATION NOVO NORDISK A/S (DK) 1991-05-30 WO claimed