SCHEMBL5283390

SCHEMBL5283390

OC1CCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3C(F)c3cccc(F)c3F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.43
NR1H2 P55055 7/20 0.38
NR1H3 Q13133 7/20 0.38
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
RORC P51449 1/20 0.37
HSD11B1 P28845 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL5300032 0.81 NR1H2 (0.38) SOS1NR1H2NR1H3NR1I2NR3C1
SCHEMBL1407362 0.75 NR1H2 (0.52) SOS1NR1H2NR1H3NR1I2NR3C1
SCHEMBL3860036 0.74 NR1H2 (0.66) SOS1NR1H2NR1H3NR1I2NR3C1
SCHEMBL5244461 0.73 ITGB2 (0.40) SOS1NR1H2NR1H3NR1I2NR3C1
SCHEMBL1407372 0.71 NR1H2 (0.50) SOS1NR1H2NR1H3NR1I2NR3C1
SCHEMBL5246499 0.69 NR1H2 (0.35) NR1H2NR1H3NR1I2NR3C1RORC
SCHEMBL1407884 0.67 ROCK2 (0.44) NR1H2NR1H3NR1I2NR3C1
SCHEMBL5348609 0.66 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1TRPV1
SCHEMBL1407833 0.65 NR1H2 (0.52) NR1H2NR1H3NR1I2NR3C1
SCHEMBL1407587 0.65 NR1H2 (0.52) NR1H2NR1H3NR1I2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP claimed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO claimed