SCHEMBL7724011

SCHEMBL7724011

O=C(NC1CCN(CCc2ccc(F)cc2)C1)C12CC[N+]([O-])(CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.49
HTR2C P28335 3/20 0.49
HTR7 P34969 3/20 0.49
HTR6 P50406 2/20 0.49
CCR3 P51677 5/20 0.46
GRM2 Q14416 2/20 0.42
CACNA1G O43497 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL7724008 1.00 HTR2A (0.49) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7725264 0.90 SIGMAR1 (0.53) HTR2ACCR3DRD2DRD4SIGMAR1
SCHEMBL7725261 0.90 SIGMAR1 (0.53) HTR2ACCR3DRD2DRD4SIGMAR1
SCHEMBL7719861 0.87 HTR2A (0.50) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7719857 0.87 HTR2A (0.50) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724241 0.87 HTR2A (0.53) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724243 0.87 HTR2A (0.53) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724354 0.82 HTR2A (0.42) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724358 0.82 HTR2A (0.42) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724337 0.81 KMT2A (0.51) HTR2AHTR2CHTR7HTR6CCR3

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