SCHEMBL7724064

SCHEMBL7724064

O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1(C2CCCCC2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
OPRM1 P35372 1/20 0.50
MME P08473 1/20 0.48
LTA4H P09960 2/20 0.46
DRD4 P21917 3/20 0.46
DPP7 Q9UHL4 1/20 0.46
CXCR3 P49682 1/20 0.44
CACNA1G O43497 1/20 0.44
CCR3 P51677 1/20 0.44
HTR2A P28223 1/20 0.44
CHRM3 P20309 1/20 0.43
DRD2 P14416 1/20 0.43
MC4R P32245 1/20 0.43

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
SCHEMBL7724068 1.00 SIGMAR1 (0.53) SIGMAR1OPRM1MMELTA4HDRD4
SCHEMBL7719835 0.90 CCR3 (0.50) DRD4CACNA1GCCR3HTR2ADRD2
SCHEMBL7719830 0.90 CCR3 (0.50) DRD4CACNA1GCCR3HTR2ADRD2
SCHEMBL7725271 0.80 SIGMAR1 (0.57) SIGMAR1OPRM1MMELTA4HDRD4
SCHEMBL7725276 0.80 SIGMAR1 (0.57) SIGMAR1OPRM1MMELTA4HDRD4
SCHEMBL7729605 0.80 SIGMAR1 (0.57) SIGMAR1OPRM1MMELTA4HDRD4
SCHEMBL7729598 0.80 SIGMAR1 (0.57) SIGMAR1OPRM1MMELTA4HDRD4
SCHEMBL7719838 0.77 SIGMAR1 (0.57) SIGMAR1LTA4HDRD4DPP7CXCR3
SCHEMBL7719831 0.77 SIGMAR1 (0.57) SIGMAR1LTA4HDRD4DPP7CXCR3
SCHEMBL7729574 0.76 HSD11B1 (0.59) SIGMAR1LTA4HDRD4HTR2ADRD2

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 1 patent. 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