SCHEMBL7729790

SCHEMBL7729790

O=C(Cc1ccccc1-c1ccccn1)NC1CCN(CCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.57
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL7729788 1.00 SIGMAR1 (0.57) SIGMAR1DRD2DRD4DRD3
SCHEMBL7719892 0.92 SIGMAR1 (0.52) SIGMAR1
SCHEMBL7719896 0.92 SIGMAR1 (0.52) SIGMAR1
SCHEMBL7724034 0.77 SIGMAR1 (0.62) SIGMAR1DRD4
SCHEMBL7724040 0.77 SIGMAR1 (0.62) SIGMAR1DRD4
SCHEMBL7723974 0.75 SIGMAR1 (0.53) SIGMAR1DRD2DRD4DRD3
SCHEMBL7723985 0.75 SIGMAR1 (0.53) SIGMAR1DRD2DRD4DRD3
SCHEMBL28762171 0.73 SIGMAR1 (0.80) SIGMAR1
SCHEMBL6620343 0.73 NOS1 (0.65) SIGMAR1
SCHEMBL15636721 0.72 SIGMAR1 (0.52) SIGMAR1DRD2DRD4

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