SCHEMBL9654191

SCHEMBL9654191

CCC(CO)CCN1CCC(c2ccsc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.42
CCR5 P51681 1/20 0.41
DRD2 P14416 7/20 0.40
SLC18A3 Q16572 2/20 0.40
DRD3 P35462 2/20 0.36
SLC6A4 P31645 1/20 0.35
PRCP P42785 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35

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 0.80 DRD2 (0.49) CCR2CCR5DRD2SLC6A4
SCHEMBL9654472 0.79 CCR5 (0.39) CCR5DRD2SLC18A3DRD3SLC6A4
SCHEMBL9655196 0.78 HRH3 (0.44)
SCHEMBL9653371 0.77 KDM4E (0.45) CCR2CCR5DRD2SLC6A4
SCHEMBL9912154 0.76 DRD2 (0.44) DRD2SLC18A3DRD3SLC6A4
SCHEMBL9655545 0.75 SLC18A3 (0.41) CCR2CCR5DRD2SLC18A3PRCP
SCHEMBL9910975 0.71 QDPR (0.47) DRD2
Hydrochloric Acid SCHEMBL9811479 0.71 SIGMAR1 (0.50) CCR2DRD2SLC18A3PRCP
SCHEMBL9342501 0.68 ALDH1A1 (0.45) CARM1PRMT6
SCHEMBL9811419 0.68 CCR2 (0.40) CCR2CCR5DRD2SLC18A3PRCP

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 6 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
EP-0505465-A1 PIPERIDINE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-30 EP disclosed
EP-0502024-A1 4-HETEROARYL PIPERIDINE INTERMEDIATES AND THEIR PREPARATION. NOVO NORDISK AS (DK) 1992-09-09 EP disclosed
WO-1991009032-A1 PIPERIDINE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-06-27 WO disclosed
WO-1991007398-A1 4-HETEROARYL PIPERIDINE INTERMEDIATES AND THEIR PREPARATION NOVO NORDISK A/S (DK) 1991-05-30 WO disclosed