SCHEMBL7725276

SCHEMBL7725276

O=C(NC1CCN(CCc2ccccc2)C1)C12CCN(CC1)CC2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
DRD4 P21917 4/20 0.52
HTR2A P28223 1/20 0.50
LTA4H P09960 3/20 0.49
CXCR3 P49682 1/20 0.47
MME P08473 1/20 0.47
DRD2 P14416 1/20 0.46
OPRM1 P35372 1/20 0.46
MC4R P32245 3/20 0.46
CCR3 P51677 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
SCHEMBL7725271 1.00 SIGMAR1 (0.57) SIGMAR1DRD4HTR2ALTA4HCXCR3
SCHEMBL7729605 0.91 SIGMAR1 (0.57) SIGMAR1DRD4HTR2ALTA4HCXCR3
SCHEMBL7729598 0.91 SIGMAR1 (0.57) SIGMAR1DRD4HTR2ALTA4HCXCR3
SCHEMBL7724241 0.89 HTR2A (0.53) SIGMAR1DRD4HTR2ADRD2CCR3
SCHEMBL7724243 0.89 HTR2A (0.53) SIGMAR1DRD4HTR2ADRD2CCR3
SCHEMBL7725264 0.86 SIGMAR1 (0.53) SIGMAR1DRD4HTR2ALTA4HCXCR3
SCHEMBL7725261 0.86 SIGMAR1 (0.53) SIGMAR1DRD4HTR2ALTA4HCXCR3
SCHEMBL7719868 0.85 HSD11B1 (0.59) SIGMAR1DRD4HTR2ALTA4HDRD2
SCHEMBL7729574 0.85 HSD11B1 (0.59) SIGMAR1DRD4HTR2ALTA4HDRD2
SCHEMBL7719871 0.85 HSD11B1 (0.59) SIGMAR1DRD4HTR2ALTA4HDRD2

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