SCHEMBL7724256

SCHEMBL7724256

O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1C2=CC=C1CC2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
MC4R P32245 5/20 0.53
DRD4 P21917 6/20 0.52
DRD2 P14416 4/20 0.52
MCHR1 Q99705 1/20 0.47
CXCR3 P49682 1/20 0.47
HTR2A P28223 1/20 0.47
LTA4H P09960 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
SCHEMBL7719803 0.88 CCR3 (0.51) SIGMAR1DRD4DRD2MCHR1HTR2A
SCHEMBL7725101 0.81 SIGMAR1 (0.61) SIGMAR1MC4RDRD4DRD2CXCR3
SCHEMBL7725104 0.81 SIGMAR1 (0.61) SIGMAR1MC4RDRD4DRD2CXCR3
SCHEMBL7729803 0.81 C3AR1 (0.56) SIGMAR1MC4RDRD4DRD2CXCR3
SCHEMBL7729799 0.81 C3AR1 (0.56) SIGMAR1MC4RDRD4DRD2CXCR3
SCHEMBL7724247 0.81 SIGMAR1 (0.60) SIGMAR1MC4RDRD4DRD2CXCR3
SCHEMBL7724258 0.81 SIGMAR1 (0.60) SIGMAR1MC4RDRD4DRD2CXCR3
SCHEMBL7719823 0.81 CCR1 (0.62) SIGMAR1MC4RDRD4DRD2
SCHEMBL7719821 0.81 CCR1 (0.62) SIGMAR1MC4RDRD4DRD2
SCHEMBL7729609 0.81 SIGMAR1 (0.54) SIGMAR1MC4RDRD4DRD2CXCR3

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