SCHEMBL4637922

SCHEMBL4637922

CN1CCN(c2c(C(=O)c3c(-c4ccccc4Cl)noc3CCO[Si](C)(C)C(C)(C)C)nnn2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.36
EPAS1 Q99814 2/20 0.34
ALDH1A1 P00352 3/20 0.34
NLRP3 Q96P20 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL4638545 0.94 ALDH1A1 (0.38) TACR1EPAS1ALDH1A1NLRP3SMN1; SMN2
SCHEMBL4672009 0.93 ALDH1A1 (0.35) TACR1EPAS1ALDH1A1NLRP3SMN1; SMN2
SCHEMBL4637945 0.89 EPAS1 (0.37) TACR1EPAS1ALDH1A1NLRP3GPBAR1
SCHEMBL4637843 0.86 GPBAR1 (0.38) TACR1EPAS1ALDH1A1NLRP3GPBAR1
SCHEMBL4639007 0.84 GPBAR1 (0.37) TACR1EPAS1ALDH1A1NLRP3LMNA
SCHEMBL4638045 0.82 EPAS1 (0.39) TACR1EPAS1ALDH1A1NLRP3LMNA
SCHEMBL4637747 0.82 EPAS1 (0.38) TACR1EPAS1ALDH1A1NLRP3GPBAR1
SCHEMBL4637694 0.81 EPAS1 (0.39) TACR1EPAS1ALDH1A1NLRP3SMN1; SMN2
SCHEMBL4637876 0.81 EPAS1 (0.39) TACR1EPAS1ALDH1A1NLRP3SMN1; SMN2
SCHEMBL4637796 0.80 EPAS1 (0.39) TACR1EPAS1ALDH1A1NLRP3LMNA

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