SCHEMBL7724354

SCHEMBL7724354

CC12CC[N+]([O-])(CC1)CC2C(=O)N[C@H]1CCN(CCc2ccc(F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.42
HTR2C P28335 3/20 0.42
HTR7 P34969 3/20 0.42
HTR6 P50406 2/20 0.42
CACNA1G O43497 1/20 0.41
CCR3 P51677 3/20 0.40
GRM2 Q14416 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39

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
SCHEMBL7724358 1.00 HTR2A (0.42) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL7729628 0.91 SIGMAR1 (0.47) HTR2ADRD2DRD4
SCHEMBL7729625 0.91 SIGMAR1 (0.47) HTR2ADRD2DRD4
SCHEMBL7724002 0.84 HTR2A (0.45) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL7724005 0.84 HTR2A (0.45) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL7724000 0.84 HTR2A (0.45) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL7724011 0.82 HTR2A (0.49) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL7724008 0.82 HTR2A (0.49) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL7724312 0.81 HTR2A (0.45) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL7724318 0.81 HTR2A (0.45) HTR2AHTR2CHTR7HTR6CACNA1G

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