SCHEMBL7729579

SCHEMBL7729579

O=C(NC1CCN(CCc2ccccc2)C1)N1CCN2CC[C@H]1C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
DRD4 P21917 5/20 0.50
LTA4H P09960 2/20 0.47
CXCR3 P49682 1/20 0.46
HTR2A P28223 1/20 0.45
DRD2 P14416 2/20 0.45
MC4R P32245 2/20 0.45
DPP7 Q9UHL4 1/20 0.45
AGTR2 P50052 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL7729583 1.00 SIGMAR1 (0.55) SIGMAR1DRD4LTA4HCXCR3HTR2A
SCHEMBL7723148 0.90 HTR2A (0.48) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7723143 0.90 HTR2A (0.48) SIGMAR1DRD4HTR2ADRD2
SCHEMBL7724042 0.81 SIGMAR1 (0.51) SIGMAR1DRD4LTA4HCXCR3HTR2A
SCHEMBL7724047 0.81 SIGMAR1 (0.51) SIGMAR1DRD4LTA4HCXCR3HTR2A
SCHEMBL7724430 0.80 SIGMAR1 (0.50) SIGMAR1DRD4LTA4HCXCR3HTR2A
SCHEMBL7724428 0.80 SIGMAR1 (0.50) SIGMAR1DRD4LTA4HCXCR3HTR2A
SCHEMBL7724269 0.78 CHRNA7 (0.58) SIGMAR1DRD4CXCR3HTR2ADRD2
SCHEMBL7723197 0.78 SIGMAR1 (0.56) SIGMAR1DRD4LTA4HCXCR3HTR2A
SCHEMBL7723192 0.78 SIGMAR1 (0.56) SIGMAR1DRD4LTA4HCXCR3HTR2A

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