SCHEMBL7724042

SCHEMBL7724042

O=C(NC1CCN(CCc2ccccc2)C1)N1CC2CC3CC1CN(C3)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
DRD4 P21917 6/20 0.47
DRD2 P14416 4/20 0.44
MC4R P32245 2/20 0.44
CXCR3 P49682 1/20 0.43
LTA4H P09960 2/20 0.42
HTR2A P28223 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
HSD11B1 P28845 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL7724047 1.00 SIGMAR1 (0.51) SIGMAR1DRD4DRD2MC4RCXCR3
SCHEMBL7724309 0.90 HTR2A (0.44) SIGMAR1DRD4DRD2HTR2AMCHR1
SCHEMBL7724303 0.90 HTR2A (0.44) SIGMAR1DRD4DRD2HTR2AMCHR1
SCHEMBL7723956 0.82 SIGMAR1 (0.57) SIGMAR1DRD4DRD2MC4RCXCR3
SCHEMBL7723959 0.82 SIGMAR1 (0.57) SIGMAR1DRD4DRD2MC4RCXCR3
SCHEMBL7719772 0.82 SIGMAR1 (0.47) SIGMAR1DRD4DRD2MC4RCXCR3
SCHEMBL7724053 0.82 SIGMAR1 (0.54) SIGMAR1DRD4DRD2MC4RCXCR3
SCHEMBL7724049 0.82 SIGMAR1 (0.54) SIGMAR1DRD4DRD2MC4RCXCR3
SCHEMBL7724046 0.82 SIGMAR1 (0.54) SIGMAR1DRD4DRD2MC4RCXCR3
SCHEMBL7724298 0.81 HTR2A (0.47) SIGMAR1DRD4DRD2HTR2AMCHR1

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