SCHEMBL20619561

SCHEMBL20619561

CC(=O)c1ccc(C)nc1N1CC2(CCOCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 7/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PRKDC P78527 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.34
▸ SPR P35270 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL20599223 0.90 RBP4 (0.41) VNN1CYP2C9ALDH1A1MAPK1CYP2C19
SCHEMBL20619918 0.80 SCN10A (0.41) SCN10AALDH1A1MAPT
SCHEMBL20619566 0.79 HSD17B10 (0.42) VNN1OPRK1CYP2C9ALDH1A1MAPK1
SCHEMBL19699773 0.76 RBP4 (0.42) —
SCHEMBL20618429 0.76 LRRK2 (0.36) VNN1LRRK2
SCHEMBL20618190 0.73 ABCC1 (0.37) VNN1OPRK1SCN10AALDH1A1LRRK2
SCHEMBL18395148 0.71 PKM (0.47) ALDH1A1
SCHEMBL17674350 0.68 OGA (0.38) VNN1OPRK1
SCHEMBL17678702 0.68 OGA (0.38) VNN1OPRK1
SCHEMBL25389483 0.67 RBP4 (0.44) SCN10A

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-2019006295-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-01-03 — — WO disclosed
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