SCHEMBL29547755

SCHEMBL29547755

Cc1ccc2c3c([nH]c2c1)CC[C@](NC(=O)OC(C)(C)C)(C(N)=O)C3

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.40
TACR1 P25103 1/20 0.40
SIRT1 Q96EB6 1/20 0.36
CFTR P13569 1/20 0.35
NMBR P28336 3/20 0.34
GHSR Q92847 1/20 0.34
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BAZ2B Q9UIF8 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
SCHEMBL29548267 0.93 F9 (0.40) F9TACR1SIRT1CFTRNMBR
SCHEMBL17999520 0.92 F9 (0.42) F9TACR1CFTRNMBRGHSR
SCHEMBL17999521 0.92 F9 (0.42) F9TACR1CFTRNMBRGHSR
SCHEMBL17999310 0.90 TACR1 (0.43) F9TACR1CFTRNMBRGHSR
SCHEMBL17999311 0.90 TACR1 (0.43) F9TACR1CFTRNMBRGHSR
SCHEMBL17999457 0.87 F9 (0.45) F9TACR1SIRT1CFTRNMBR
SCHEMBL29547959 0.84 TACR1 (0.38) F9TACR1NMBRGHSR
SCHEMBL17999464 0.79 F9 (0.45) F9TACR1SIRT1CFTRNMBR
SCHEMBL5881032 0.79 TACR1 (0.51) TACR1NMBRGHSRLMNABAZ2B
SCHEMBL17999559 0.70 F9 (0.41) F9TACR1NMBR

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-3258929-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed