SCHEMBL5721796

SCHEMBL5721796

Cc1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(c1ccccc1)[CH]2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
IKBKB O14920 2/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
BRD4 O60885 1/20 0.33
KIF11 P52732 1/20 0.33
RXRG P48443 1/20 0.33
TACR1 P25103 6/20 0.32
AR P10275 1/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2A P29274 1/20 0.32
METAP2 P50579 1/20 0.32
P2RX1 P51575 1/20 0.31

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
SCHEMBL5721415 0.85 CNR1 (0.37) CNR1CNR2TDP1IDO1TDO2
SCHEMBL5721186 0.85 CNR1 (0.35) CNR1CNR2TDP1IDO1TDO2
SCHEMBL5721573 0.84 CNR1 (0.34) CNR1CNR2TDP1IDO1TDO2
SCHEMBL5721760 0.84 CNR1 (0.37) CNR1CNR2RXRARXRBTDP1
SCHEMBL5721387 0.82 IKBKB (0.40) CNR1CNR2IKBKBRXRARXRB
SCHEMBL5721196 0.82 DRD2 (0.35) CNR1CNR2RXRARXRBTDP1
SCHEMBL5721717 0.78 IKBKB (0.38) CNR1CNR2IKBKBRXRARXRB
SCHEMBL5721352 0.78 IKBKB (0.38) CNR1CNR2IKBKBRXRARXRB
SCHEMBL5721293 0.78 IKBKB (0.38) CNR1CNR2IKBKBRXRARXRB
SCHEMBL5721342 0.77 NOTUM (0.30)

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-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed