SCHEMBL19485396

SCHEMBL19485396

CC(C)c1nc(N2CCC(c3n[nH]c4c3[C@H](C)[C@@H](O)C(=O)N4)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 19/20 0.65
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL19485567 1.00 LCAT (0.65) LCATDRD2DRD3
SCHEMBL18138567 0.91 LCAT (0.77) LCAT
SCHEMBL18138637 0.91 LCAT (0.77) LCAT
SCHEMBL18138552 0.91 LCAT (0.77) LCAT
SCHEMBL18138638 0.91 LCAT (0.77) LCAT
SCHEMBL18138564 0.91 LCAT (0.77) LCAT
SCHEMBL19485568 0.82 LCAT (0.62) LCAT
SCHEMBL19485093 0.79 LCAT (0.63) LCAT
SCHEMBL16648725 0.79 LCAT (0.74) LCAT
SCHEMBL19485564 0.78 LCAT (0.62) LCAT

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
Send feedback