SCHEMBL7724043

SCHEMBL7724043

CNC1CCN(CCc2ccc(F)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 1/20 0.51
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
MAOA P21397 1/20 0.48
EED O75530 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL7725316 1.00 HTR2A (0.51) HTR2AHTR2CHTR7HTR6CARM1
SCHEMBL27763800 0.92 HTR2A (0.56) HTR2AHTR2CHTR7HTR6CARM1
Hydrochloric Acid SCHEMBL29280917 0.91 HTR2A (0.55) HTR2AHTR2CHTR7HTR6CARM1
SCHEMBL7723966 0.84 ACHE (0.61) CARM1PRMT6BCHEACHEBACE1
SCHEMBL7719804 0.80 CA12 (0.59) BCHEACHEBACE1EED
SCHEMBL12993065 0.80 HTR2A (0.59) HTR2AHTR2CHTR7HTR6
SCHEMBL8151042 0.80 BCHE (0.62) BCHEACHEBACE1
SCHEMBL7723203 0.78 HTR2A (0.54) HTR2AHTR2CHTR7HTR6MAOA
SCHEMBL3601901 0.78 HTR2A (0.54) HTR2AHTR2CHTR7HTR6MAOA
SCHEMBL20459540 0.78 HRH3 (0.53) HTR2AHTR2CHTR7ACHEHRH3

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