SCHEMBL19485389

SCHEMBL19485389

CC(C)Oc1ccc(N2CCC(c3nn(C(c4ccccc4)c4ccccc4)c4c3[C@H](C)[C@H](O)C(=O)N4)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 15/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.34
▸ ACACB O00763 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL19485355 1.00 LCAT (0.51) LCATHRH3ACACBDDB1CRBN
SCHEMBL19485364 0.93 LCAT (0.51) LCATHRH3
SCHEMBL18138581 0.90 LCAT (0.62) LCAT
SCHEMBL18138519 0.90 LCAT (0.62) LCAT
SCHEMBL18138516 0.90 LCAT (0.62) LCAT
SCHEMBL18138582 0.90 LCAT (0.62) LCAT
SCHEMBL18138517 0.90 LCAT (0.62) LCAT
SCHEMBL19485428 0.88 LCAT (0.49) LCATHRH3
SCHEMBL19485356 0.86 LCAT (0.49) LCATHRH3MAPT
SCHEMBL19485566 0.86 LCAT (0.49) LCATHRH3MAPT

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-9796709-B2 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-24 — — US disclosed
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