SCHEMBL7724275

SCHEMBL7724275

O=C(NC1CCN(CCc2ccccc2)C1)NC1CN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.58
SIGMAR1 Q99720 1/20 0.56
CXCR3 P49682 2/20 0.54
DRD4 P21917 4/20 0.51
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR3A P46098 1/20 0.46
HTR2A P28223 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
SCHEMBL7724269 1.00 CHRNA7 (0.58) CHRNA7SIGMAR1CXCR3DRD4CHRM2
SCHEMBL7729420 0.90 MEN1 (0.49) CHRNA7SIGMAR1DRD4CHRM2CHRM1
SCHEMBL7729426 0.90 MEN1 (0.49) CHRNA7SIGMAR1DRD4CHRM2CHRM1
SCHEMBL7723196 0.84 SIGMAR1 (0.56) SIGMAR1CXCR3DRD4DRD2HTR2A
SCHEMBL7723197 0.84 SIGMAR1 (0.56) SIGMAR1CXCR3DRD4DRD2HTR2A
SCHEMBL7723192 0.84 SIGMAR1 (0.56) SIGMAR1CXCR3DRD4DRD2HTR2A
SCHEMBL7719805 0.81 SIGMAR1 (0.51) SIGMAR1CXCR3DRD4DRD2DRD3
SCHEMBL12614464 0.79 CHRNA7 (0.68) CHRNA7DRD4CHRM2CHRM1CHRM3
SCHEMBL7729583 0.78 SIGMAR1 (0.55) SIGMAR1CXCR3DRD4DRD2HTR2A
SCHEMBL7729579 0.78 SIGMAR1 (0.55) SIGMAR1CXCR3DRD4DRD2HTR2A

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