SCHEMBL7724326

SCHEMBL7724326

O=C(NC1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.52
DRD2 P14416 4/20 0.50
DRD4 P21917 3/20 0.50
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 1/20 0.46
DRD3 P35462 1/20 0.46
EPHX1 P07099 1/20 0.46
RAB9A P51151 1/20 0.46
MC4R P32245 1/20 0.46
CCR2 P41597 2/20 0.45
TEAD1 P28347 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL7724323 1.00 CXCR3 (0.52) CXCR3DRD2DRD4KMT2AHSD11B1
SCHEMBL7724059 0.95 DRD2 (0.50) CXCR3DRD2DRD4KMT2ADRD3
SCHEMBL7724063 0.95 DRD2 (0.50) CXCR3DRD2DRD4KMT2ADRD3
SCHEMBL7719868 0.90 HSD11B1 (0.59) DRD2DRD4KMT2AHSD11B1DRD3
SCHEMBL7729574 0.90 HSD11B1 (0.59) DRD2DRD4KMT2AHSD11B1DRD3
SCHEMBL7719871 0.90 HSD11B1 (0.59) DRD2DRD4KMT2AHSD11B1DRD3
SCHEMBL7719734 0.89 KMT2A (0.51) DRD2DRD4KMT2AHSD11B1EPHX1
SCHEMBL7724337 0.89 KMT2A (0.51) DRD2DRD4KMT2AHSD11B1EPHX1
SCHEMBL7723993 0.89 KMT2A (0.47) DRD2KMT2AHSD11B1DRD3EPHX1
SCHEMBL7723988 0.89 KMT2A (0.47) DRD2KMT2AHSD11B1DRD3EPHX1

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