SCHEMBL7656471

SCHEMBL7656471

O=C(O)N[C@H]1CCN(Cc2cccnc2)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
DRD4 P21917 5/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.55
CXCR4 P61073 1/20 0.54
DRD2 P14416 4/20 0.54
MAPK1 P28482 1/20 0.54
ROCK2 O75116 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A5 Q9Y345 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49

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
SCHEMBL19614234 0.85 DRD4 (0.70) SIGMAR1DRD4DRD2
SCHEMBL17961749 0.85 DRD4 (0.70) SIGMAR1DRD4DRD2
SCHEMBL20183285 0.85 DRD4 (0.70) SIGMAR1DRD4DRD2
SCHEMBL6968971 0.83 NPY5R (0.57) SIGMAR1DRD4CHRM2CHRM1CHRM3
Oxalic Acid SCHEMBL1624809 0.83 DRD4 (0.67) SIGMAR1DRD4DRD2
SCHEMBL23507310 0.82 CHRNB2 (0.55) SIGMAR1DRD4CHRM2CHRM1CHRM3
SCHEMBL239998 0.82 DRD2 (0.67) SIGMAR1DRD4ALDH1A1DRD2
SCHEMBL239997 0.82 DRD2 (0.67) SIGMAR1DRD4ALDH1A1DRD2
SCHEMBL21061654 0.81 ALDH1A1 (0.65) SIGMAR1ALDH1A1MAPTHTTKDM4E
SCHEMBL21061907 0.79 ALDH1A1 (0.60) SIGMAR1ALDH1A1MAPTHTTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US disclosed