SCHEMBL30009651

SCHEMBL30009651

O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCC(O)CO)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 1.00
▸ JAK2 O60674 19/20 1.00

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
SCHEMBL1022214 1.00 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2694841 0.90 NTRK1 (1.00) NTRK1JAK2
SCHEMBL29794639 0.90 NTRK1 (1.00) NTRK1JAK2
SCHEMBL19547347 0.89 NTRK1 (0.81) NTRK1JAK2
SCHEMBL1082852 0.87 NTRK1 (1.00) NTRK1JAK2
SCHEMBL1082853 0.87 NTRK1 (1.00) NTRK1JAK2
SCHEMBL30009923 0.87 NTRK1 (1.00) NTRK1JAK2
SCHEMBL30009477 0.86 NTRK1 (1.00) NTRK1JAK2
SCHEMBL948625 0.86 NTRK1 (1.00) NTRK1JAK2
SCHEMBL29794676 0.86 NTRK1 (0.84) NTRK1JAK2

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-4041259-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO University of Houston System (US) 2022-08-17 — — EP disclosed
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