SCHEMBL9653371

SCHEMBL9653371

CCC(CCN1CCC(c2ccsc2)CC1)COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
HRH1 P35367 3/20 0.41
CCR3 P51677 3/20 0.41
SLC6A4 P31645 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
ALDH1A1 P00352 3/20 0.39
CCR2 P41597 1/20 0.38
DRD2 P14416 3/20 0.36
ADRA1A P35348 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CCR5 P51681 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 0.86 DRD2 (0.49) SLC6A4HRH3CCR2DRD2CCR5
SCHEMBL9654170 0.85 DRD2 (0.50) SLC6A4HRH3DRD2
SCHEMBL9655196 0.83 HRH3 (0.44) HRH1HRH3SIGMAR1
SCHEMBL9654191 0.77 CCR2 (0.42) SLC6A4CCR2DRD2CCR5
SCHEMBL5083239 0.71 DRD2 (0.56) HRH3DRD2SIGMAR1
SCHEMBL9093940 0.70 KDM4E (0.41) KDM4EHRH1CCR3SLC6A4HRH3
SCHEMBL5076789 0.69 ADRA1D (0.50) KDM4EHRH3ALDH1A1DRD2ADRA1A
SCHEMBL9652034 0.69 DRD2 (0.47) KDM4ESLC6A4HRH3ALDH1A1DRD2
SCHEMBL9912154 0.67 DRD2 (0.44) SLC6A4HRH3ALDH1A1DRD2SMN1; SMN2
SCHEMBL9652004 0.66 DRD2 (0.43) KDM4EALDH1A1DRD2POLBSIGMAR1

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 disclosed
WO-1991009032-A1 PIPERIDINE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-06-27 WO disclosed