SCHEMBL2932970

SCHEMBL2932970

CC(C)N1CCC(Oc2c(Br)cc(OF)cc2OF)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CHEK1 O14757 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34

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
SCHEMBL1928236 0.76 HRH3 (0.37) HRH3CNR1CNR2P2RX3P2RX2
SCHEMBL1928559 0.76 HRH3 (0.39) HRH3KMT2AMEN1CHEK1
SCHEMBL1929020 0.75 MAPT (0.44) HRH3KMT2AMEN1CHEK1
SCHEMBL1928320 0.73 HRH3 (0.44) HRH3CHEK1
SCHEMBL1928840 0.73 SCD (0.48) HRH3CNR1CNR2
SCHEMBL1928720 0.71 SLC6A4 (0.43) HRH3CNR1CNR2
SCHEMBL1927682 0.71 SCD (0.47) HRH3
SCHEMBL1926949 0.70 HRH3 (0.43) HRH3
SCHEMBL1926962 0.69 HRH3 (0.45) HRH3CNR1CNR2
SCHEMBL12311932 0.68 HRH3 (0.49) HRH3CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed