SCHEMBL7216290

SCHEMBL7216290

CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccnnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 11/20 0.36
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
NTRK2 Q16620 1/20 0.31
CHRM4 P08173 1/20 0.31
PREP P48147 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
SCHEMBL31073390 0.78 LTA4H (0.41) IDO1AGXT
SCHEMBL12783776 0.78 IDO1 (0.35) IDO1AGXTPREP
SCHEMBL5221804 0.78 IDO1 (0.35) IDO1AGXTPREP
SCHEMBL12002628 0.78 IDO1 (0.46) IDO1AGXTPREP
SCHEMBL9033464 0.76 CYP17A1 (0.46)
SCHEMBL6212378 0.74 WNT3A (0.34) WNT3AS1PR1S1PR3GPR119CHRM4
SCHEMBL6212376 0.74 WNT3A (0.34) WNT3AS1PR1S1PR3GPR119
SCHEMBL7216378 0.74 WNT3A (0.33) WNT3AIDO1AGXT
SCHEMBL15489965 0.73 TDP1 (0.37) AGXT
SCHEMBL581041 0.73 LOXL2 (0.37)

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
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed