SCHEMBL7724430

SCHEMBL7724430

O=C(NC1CCN(CCc2ccccc2)C1)N1CC[N+]2([O-])CCC1C2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
DRD4 P21917 7/20 0.44
CXCR3 P49682 1/20 0.42
LTA4H P09960 2/20 0.42
MC4R P32245 2/20 0.41
HTR2A P28223 1/20 0.41
DRD2 P14416 2/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL7724428 1.00 SIGMAR1 (0.50) SIGMAR1DRD4CXCR3LTA4HMC4R
SCHEMBL7729813 0.91 HTR2A (0.44) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7729810 0.91 HTR2A (0.44) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7719772 0.81 SIGMAR1 (0.47) SIGMAR1DRD4CXCR3LTA4HMC4R
SCHEMBL7719805 0.80 SIGMAR1 (0.51) SIGMAR1DRD4CXCR3LTA4HMC4R
SCHEMBL7725090 0.80 SIGMAR1 (0.51) SIGMAR1DRD4CXCR3LTA4HMC4R
SCHEMBL7725086 0.80 SIGMAR1 (0.51) SIGMAR1DRD4CXCR3LTA4HMC4R
SCHEMBL7729583 0.80 SIGMAR1 (0.55) SIGMAR1DRD4CXCR3LTA4HMC4R
SCHEMBL7729579 0.80 SIGMAR1 (0.55) SIGMAR1DRD4CXCR3LTA4HMC4R
SCHEMBL7725264 0.76 SIGMAR1 (0.53) SIGMAR1DRD4CXCR3LTA4HMC4R

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