SCHEMBL6982584

SCHEMBL6982584

Cc1ccc(C(=O)N2CCC(F)(CN)CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
HTR1A P08908 15/20 0.55
KMT2A Q03164 2/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3909631 0.90 HPGD (0.60) HPGDHTR1AKMT2ADRD2
SCHEMBL6981877 0.87 HTR1A (0.62) HTR1A
SCHEMBL14525212 0.86 HPGD (0.43) HPGDHTR1AALDH1A1
SCHEMBL3904865 0.85 HTR1A (0.51) HTR1AKMT2A
SCHEMBL26005943 0.83 HTR1A (0.64) HTR1ADRD2DRD4DRD3
SCHEMBL3906981 0.83 MEN1 (0.57) HTR1AKMT2AMEN1
SCHEMBL3911482 0.78 CA12 (0.52) HTR1AKMT2AMEN1ALDH1A1
SCHEMBL4546524 0.78 HTR1A (0.48) HPGDHTR1AKMT2ADRD2DRD4
SCHEMBL4546529 0.77 HPGD (0.66) HPGDHTR1AKMT2AMEN1ALDH1A1
SCHEMBL6981118 0.77 HPGD (0.61) HPGDHTR1AKMT2ADRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131549-B1 A METHOD FOR TREATING MOVEMENT DISORDERS WITH BEFIRADOL PF MEDICAMENT (FR) 2018-03-28 EP disclosed
EP-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed