SCHEMBL7723148

SCHEMBL7723148

O=C(NC1CCN(CCc2ccc(F)cc2)C1)N1CC[N@]2CCC1C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
HTR2C P28335 3/20 0.48
HTR7 P34969 3/20 0.48
HTR6 P50406 2/20 0.48
CCR3 P51677 3/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 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
SCHEMBL7723143 1.00 HTR2A (0.48) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7729579 0.90 SIGMAR1 (0.55) HTR2ADRD2DRD4SIGMAR1
SCHEMBL7729583 0.90 SIGMAR1 (0.55) HTR2ADRD2DRD4SIGMAR1
SCHEMBL7724303 0.82 HTR2A (0.44) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724309 0.82 HTR2A (0.44) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724298 0.81 HTR2A (0.47) HTR2AHTR2CHTR7HTR6CCR3
Hydrochloric Acid SCHEMBL7719859 0.81 HTR2A (0.46) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7729813 0.80 HTR2A (0.44) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7729810 0.80 HTR2A (0.44) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7719866 0.80 HTR2A (0.48) 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