SCHEMBL5721186

SCHEMBL5721186

CC(C)(C)c1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(c1ccccc1)[CH]2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
TACR1 P25103 5/20 0.33
PTPN5 P54829 1/20 0.32
KIF11 P52732 1/20 0.32
METAP2 P50579 1/20 0.30
P2RX1 P51575 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
PTAFR P25105 1/20 0.30
ADORA1 P30542 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL5721908 0.91 RXRA (0.35) PTAFR
SCHEMBL5721796 0.85 CNR1 (0.36) CNR1CNR2TDP1TACR1KIF11
SCHEMBL5721415 0.83 CNR1 (0.37) CNR1CNR2TDP1TACR1KIF11
SCHEMBL5721162 0.82 IKBKB (0.32) CNR1CNR2
SCHEMBL5721904 0.82 IKBKB (0.35) CNR1CNR2
SCHEMBL5721573 0.81 CNR1 (0.34) CNR1CNR2TDP1TACR1PTPN5
SCHEMBL5721760 0.81 CNR1 (0.37) CNR1CNR2TDP1TACR1PTPN5
SCHEMBL5609288 0.80 METAP2 (0.30) METAP2
SCHEMBL5721196 0.80 DRD2 (0.35) CNR1CNR2TDP1TACR1METAP2
SCHEMBL5721448 0.80 IKBKB (0.31)

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