SCHEMBL17860390

SCHEMBL17860390

CN1C(=O)c2cc(N)ccc2OC[C@@H]2O[C@H](CC(=O)NC3Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 5/20 0.58
▸ CASP6 P55212 1/20 0.54
▸ PLCG1 P19174 4/20 0.53
▸ PLCB3 Q01970 4/20 0.53
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ GRM7 Q14831 1/20 0.33
▸ CHRNB4 P30926 4/20 0.32
▸ CHRNA3 P32297 4/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 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
SCHEMBL17860392 0.91 PAX8 (0.58) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860400 0.90 PAX8 (0.56) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860357 0.89 PAX8 (0.56) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860358 0.88 PAX8 (0.65) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860317 0.85 PAX8 (0.64) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL16980371 0.85 PAX8 (0.62) PAX8CASP6PLCG1PLCB3KDM4E
SCHEMBL17860363 0.85 PAX8 (0.68) PAX8CASP6PLCG1PLCB3KDM4E
SCHEMBL17860385 0.84 PAX8 (0.57) PAX8CASP6PLCG1PLCB3KDM4E
SCHEMBL17860426 0.84 PAX8 (0.52) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860453 0.84 PAX8 (0.73) PAX8CASP6PLCG1PLCB3GRM7

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
WO-2016100711-A1 MODULATORS OF HEPATIC LIPOPROTEIN METABOLISM THE BROAD INSTITUTE, INC. (US) 2016-06-23 — — WO disclosed
Send feedback