SCHEMBL7724063

SCHEMBL7724063

O=C(NC1CCN(CCCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD4 P21917 3/20 0.50
CXCR3 P49682 1/20 0.49
KMT2A Q03164 2/20 0.45
FKBP1A P62942 1/20 0.45
CCR2 P41597 2/20 0.45
DRD3 P35462 1/20 0.44
RAB9A P51151 1/20 0.44
MC4R P32245 1/20 0.44
EPHX1 P07099 1/20 0.44
TEAD1 P28347 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL7724059 1.00 DRD2 (0.50) DRD2DRD4CXCR3KMT2AFKBP1A
SCHEMBL7724323 0.95 CXCR3 (0.52) DRD2DRD4CXCR3KMT2ACCR2
SCHEMBL7724326 0.95 CXCR3 (0.52) DRD2DRD4CXCR3KMT2ACCR2
SCHEMBL7729613 0.90 HSD11B1 (0.53) DRD4CXCR3KMT2ARAB9AEPHX1
SCHEMBL7729620 0.90 HSD11B1 (0.53) DRD4CXCR3KMT2ARAB9AEPHX1
SCHEMBL7724365 0.89 KMT2A (0.48) DRD2DRD4KMT2AFKBP1ADRD3
SCHEMBL7724369 0.89 KMT2A (0.48) DRD2DRD4KMT2AFKBP1ADRD3
SCHEMBL7719781 0.87 HSD11B1 (0.52) DRD4KMT2ARAB9AEPHX1
SCHEMBL7719776 0.87 HSD11B1 (0.52) DRD4KMT2ARAB9AEPHX1
SCHEMBL7729574 0.84 HSD11B1 (0.59) DRD2DRD4KMT2ADRD3RAB9A

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