SCHEMBL7725090

SCHEMBL7725090

O=C(NC1CCN(CCc2ccccc2)C1)C1C[N+]2([O-])CCC1CC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
MC4R P32245 8/20 0.51
DRD4 P21917 6/20 0.47
CXCR3 P49682 1/20 0.43
LTA4H P09960 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL7725086 1.00 SIGMAR1 (0.51) SIGMAR1MC4RDRD4CXCR3LTA4H
SCHEMBL7724318 0.91 HTR2A (0.45) SIGMAR1MC4RDRD4DRD2HTR2A
SCHEMBL7724312 0.91 HTR2A (0.45) SIGMAR1MC4RDRD4DRD2HTR2A
SCHEMBL7719805 0.85 SIGMAR1 (0.51) SIGMAR1MC4RDRD4CXCR3LTA4H
SCHEMBL7723197 0.81 SIGMAR1 (0.56) SIGMAR1MC4RDRD4CXCR3LTA4H
SCHEMBL7723192 0.81 SIGMAR1 (0.56) SIGMAR1MC4RDRD4CXCR3LTA4H
SCHEMBL7723196 0.81 SIGMAR1 (0.56) SIGMAR1MC4RDRD4CXCR3LTA4H
SCHEMBL7719834 0.81 SIGMAR1 (0.55) SIGMAR1MC4RDRD4CXCR3LTA4H
SCHEMBL7729555 0.81 SIGMAR1 (0.55) SIGMAR1MC4RDRD4CXCR3LTA4H
SCHEMBL7729563 0.81 SIGMAR1 (0.55) SIGMAR1MC4RDRD4CXCR3LTA4H

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