SCHEMBL6987552

SCHEMBL6987552

O=C(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)CO2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.65
PKM P14618 1/20 0.64
POLB P06746 1/20 0.58
KMT2A Q03164 2/20 0.56
HSD11B1 P28845 1/20 0.50
TSHR P16473 1/20 0.48
HTR1A P08908 5/20 0.47
MEN1 O00255 1/20 0.47
PGR P06401 1/20 0.47
ADRA1A P35348 1/20 0.46
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 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
SCHEMBL4546529 0.89 HPGD (0.66) HPGDPKMPOLBKMT2ATSHR
SCHEMBL6985467 0.87 HTR1A (0.55) HTR1AADRA1A
SCHEMBL25331862 0.83 PHGDH (0.61) HPGDPOLBKMT2A
SCHEMBL31197137 0.81 PKM (0.59) PKMHSD11B1
SCHEMBL25332770 0.81 PKM (0.59) PKMHSD11B1
Methane SCHEMBL7454180 0.79 HPGD (0.65) HPGDPKMPOLBKMT2AHSD11B1
SCHEMBL25332385 0.79 KMT2A (0.60) HPGDKMT2AHSD11B1TSHRHTR1A
SCHEMBL31197140 0.79 KMT2A (0.60) HPGDKMT2AHSD11B1TSHRHTR1A
SCHEMBL30818903 0.78 PKM (0.55) HPGDPKMPOLBKMT2ATSHR
SCHEMBL2097666 0.78 HPGD (0.73) HPGDPKMPOLBKMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 WO disclosed