SCHEMBL7723959

SCHEMBL7723959

O=C(NC1CCN(CCc2ccccc2)C1)N1C2CC3CC(C2)CC1C3

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
DRD4 P21917 5/20 0.52
MC4R P32245 2/20 0.48
CXCR3 P49682 1/20 0.47
HTR2A P28223 1/20 0.47
LTA4H P09960 2/20 0.47
DRD2 P14416 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HSD11B1 P28845 1/20 0.46
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL7723956 1.00 SIGMAR1 (0.57) SIGMAR1DRD4MC4RCXCR3HTR2A
SCHEMBL7723201 0.88 HTR2A (0.49) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7723202 0.88 HTR2A (0.49) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7723967 0.87 SIGMAR1 (0.58) SIGMAR1DRD4MC4RCXCR3HTR2A
SCHEMBL7723968 0.87 SIGMAR1 (0.58) SIGMAR1DRD4MC4RCXCR3HTR2A
SCHEMBL7719939 0.84 SIGMAR1 (0.58) SIGMAR1DRD4MC4RCXCR3HTR2A
SCHEMBL7719935 0.84 SIGMAR1 (0.58) SIGMAR1DRD4MC4RCXCR3HTR2A
SCHEMBL7719929 0.84 SIGMAR1 (0.58) SIGMAR1DRD4MC4RCXCR3HTR2A
SCHEMBL7724042 0.82 SIGMAR1 (0.51) SIGMAR1DRD4MC4RCXCR3HTR2A
SCHEMBL7724047 0.82 SIGMAR1 (0.51) SIGMAR1DRD4MC4RCXCR3HTR2A

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
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed