SCHEMBL7723126

SCHEMBL7723126

O=C(N[C@H]1CCN(CCc2ccccc2)C1)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
OPRM1 P35372 6/20 0.50
CCR5 P51681 1/20 0.49
LTA4H P09960 2/20 0.48
DRD4 P21917 2/20 0.48
DPP7 Q9UHL4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CXCR3 P49682 1/20 0.47
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL7723128 1.00 SIGMAR1 (0.56) SIGMAR1OPRM1CCR5LTA4HDRD4
SCHEMBL7724313 0.89 CCR3 (0.49) OPRM1DRD4
SCHEMBL7724321 0.89 CCR3 (0.49) OPRM1DRD4
SCHEMBL7719883 0.82 SIGMAR1 (0.60) SIGMAR1OPRM1DRD4OPRD1OPRK1
SCHEMBL7719877 0.82 SIGMAR1 (0.60) SIGMAR1OPRM1DRD4OPRD1OPRK1
SCHEMBL7719831 0.80 SIGMAR1 (0.57) SIGMAR1LTA4HDRD4DPP7CXCR3
SCHEMBL7719838 0.80 SIGMAR1 (0.57) SIGMAR1LTA4HDRD4DPP7CXCR3
SCHEMBL7817044 0.79 OPRM1 (0.65) OPRM1CCR5OPRD1OPRK1ADRA1A
SCHEMBL7723968 0.79 SIGMAR1 (0.58) SIGMAR1OPRM1LTA4HDRD4DPP7
SCHEMBL7723967 0.79 SIGMAR1 (0.58) SIGMAR1OPRM1LTA4HDRD4DPP7

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