SCHEMBL10932016

SCHEMBL10932016

OCCCN1CCN(CCc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.69
SLC6A3 Q01959 1/20 0.63
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
CCR3 P51677 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL11399131 0.93 SIGMAR1 (0.81) SIGMAR1CCR3
SCHEMBL10685564 0.88 SIGMAR1 (0.80) SIGMAR1SLC6A3HTR1ADRD2CCR3
Hydrochloric Acid SCHEMBL11076651 0.86 SIGMAR1 (0.77) SIGMAR1SLC6A3HTR1ADRD2CCR3
SCHEMBL6056974 0.86 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2CCR3
SCHEMBL7264546 0.86 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2CCR3
SCHEMBL14407778 0.86 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2CCR3
SCHEMBL13150782 0.86 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2CCR3
SCHEMBL6583768 0.85 CCR3 (0.69) SIGMAR1CCR3
SCHEMBL7329630 0.85 SIGMAR1 (0.81) SIGMAR1CCR3
Hydrochloric Acid SCHEMBL10502673 0.85 SIGMAR1 (0.74) SIGMAR1SLC6A3HTR1ADRD2CCR3

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
JP-60152478-A None JP disclosed
JP-S60152478-A PIPERAZINE DERIVATIVE SHOWA DENKO KK 1985-08-10 JP disclosed