SCHEMBL7724335

SCHEMBL7724335

O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C1CC2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 2/20 0.47
CCR3 P51677 2/20 0.44
MC4R P32245 3/20 0.43
CACNA1G O43497 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
XIAP P98170 1/20 0.42
BIRC2 Q13490 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
SCHEMBL7724342 1.00 HTR2A (0.47) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724338 1.00 HTR2A (0.47) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7719834 0.89 SIGMAR1 (0.55) HTR2AMC4RDRD2DRD4SIGMAR1
SCHEMBL7729563 0.89 SIGMAR1 (0.55) HTR2AMC4RDRD2DRD4SIGMAR1
SCHEMBL7729555 0.89 SIGMAR1 (0.55) HTR2AMC4RDRD2DRD4SIGMAR1
SCHEMBL7719863 0.86 HTR2A (0.48) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7719858 0.86 HTR2A (0.48) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7719866 0.86 HTR2A (0.48) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7729553 0.85 HTR2A (0.52) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7729559 0.85 HTR2A (0.52) 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