SCHEMBL1996828

SCHEMBL1996828

COCCn1cc(C(F)(F)C(=O)F)c2cccc(F)c21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
CNR1 P21554 5/20 0.39
TP53 P04637 2/20 0.38
P2RX7 Q99572 2/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ICMT O60725 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TPSAB1 Q15661 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL1986366 0.80 IDO1 (0.47) CNR2CNR1P2RX7MAPTPOLB
SCHEMBL1983582 0.78 CNR2 (0.49) CNR2CNR1P2RX7MAPTPOLB
SCHEMBL2036426 0.73 LMNA (0.54) CNR2CNR1MAPTPOLBLMNA
SCHEMBL2041249 0.71 CHRM1 (0.46) CNR2CNR1MAPTPOLBLMNA
SCHEMBL12643105 0.71 CNR2 (0.44) CNR2CNR1P2RX7MAPTPOLB
SCHEMBL1986391 0.71 IDO1 (0.48) CNR2CNR1LMNATPSAB1KDM4E
SCHEMBL1985481 0.71 ALDH1A1 (0.46) CNR2CNR1MAPTTPSAB1ALDH1A1
SCHEMBL2036074 0.70 P2RX7 (0.47) CNR2CNR1P2RX7MAPTTPSAB1
SCHEMBL2033740 0.69 P2RX7 (0.48) CNR2CNR1P2RX7MAPTPOLB
SCHEMBL6871072 0.69 GRIN2B (0.38) TP53P2RX7MAPTALDH1A1KDM4E

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
WO-2011079103-A1 SPIROPIPERIDINE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed