SCHEMBL7723968

SCHEMBL7723968

O=C(NC1CCN(CCc2ccccc2)C1)N1C2CCC[C@H]1CC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
DRD4 P21917 3/20 0.50
LTA4H P09960 2/20 0.50
DPP7 Q9UHL4 1/20 0.50
CXCR3 P49682 1/20 0.48
HTR2A P28223 1/20 0.48
DRD2 P14416 1/20 0.47
MC4R P32245 2/20 0.47
OPRM1 P35372 1/20 0.46
XIAP P98170 1/20 0.46
BIRC2 Q13490 1/20 0.46

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
SCHEMBL7723967 1.00 SIGMAR1 (0.58) SIGMAR1DRD4LTA4HDPP7CXCR3
SCHEMBL7723996 0.88 HTR2A (0.50) SIGMAR1DRD4HTR2ADRD2XIAP
SCHEMBL7723995 0.88 HTR2A (0.50) SIGMAR1DRD4HTR2ADRD2XIAP
SCHEMBL7723959 0.87 SIGMAR1 (0.57) SIGMAR1DRD4LTA4HDPP7CXCR3
SCHEMBL7723956 0.87 SIGMAR1 (0.57) SIGMAR1DRD4LTA4HDPP7CXCR3
SCHEMBL7723128 0.79 SIGMAR1 (0.56) SIGMAR1DRD4LTA4HDPP7CXCR3
SCHEMBL7723126 0.79 SIGMAR1 (0.56) SIGMAR1DRD4LTA4HDPP7CXCR3
SCHEMBL7719939 0.78 SIGMAR1 (0.58) SIGMAR1DRD4LTA4HDPP7CXCR3
SCHEMBL7719929 0.78 SIGMAR1 (0.58) SIGMAR1DRD4LTA4HDPP7CXCR3
SCHEMBL7719935 0.78 SIGMAR1 (0.58) SIGMAR1DRD4LTA4HDPP7CXCR3

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