SCHEMBL4637843

SCHEMBL4637843

CN(C)c1c(C(=O)c2c(-c3ccccc3Cl)noc2CCO[Si](C)(C)C(C)(C)C)nnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.38
EPAS1 Q99814 2/20 0.36
TACR1 P25103 2/20 0.35
ALDH1A1 P00352 3/20 0.34
NLRP3 Q96P20 1/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
TACR3 P29371 1/20 0.32

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
SCHEMBL4637945 0.92 EPAS1 (0.37) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4639007 0.87 GPBAR1 (0.37) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4638545 0.86 ALDH1A1 (0.38) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637922 0.86 TACR1 (0.36) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4672009 0.86 ALDH1A1 (0.35) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637747 0.84 EPAS1 (0.38) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637783 0.82 TACR1 (0.41) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4638014 0.81 GPBAR1 (0.40) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637701 0.80 GPBAR1 (0.38) GPBAR1EPAS1TACR1ALDH1A1NLRP3
SCHEMBL4637940 0.79 IDH1 (0.41) GPBAR1EPAS1TACR1ALDH1A1MAPT

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-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed