SCHEMBL19547154

SCHEMBL19547154

[CH2]C(O)C(O)N1CCC[C@@H]1c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 7/20 0.34
▸ JAK2 O60674 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ TRPA1 O75762 1/20 0.30

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
SCHEMBL19547155 0.86 JAK2 (0.33) JAK2NTRK1
SCHEMBL19547171 0.77 NTRK1 (0.39) JAK2NTRK1
SCHEMBL19547145 0.77 JAK2 (0.33) RIPK1JAK2NTRK1
SCHEMBL4102082 0.69 RIPK1 (0.37) RIPK1NTRK1
SCHEMBL15037563 0.68 RIPK1 (0.36) RIPK1TRPA1
SCHEMBL4094951 0.66 JAK2 (0.53) JAK2NTRK1
SCHEMBL19547176 0.65 NTRK1 (0.41) JAK2NTRK1
SCHEMBL28950160 0.65 NTRK1 (0.41) JAK2NTRK1
SCHEMBL4100913 0.64 RIPK1 (0.54) RIPK1JAK2NTRK1
SCHEMBL21725645 0.64 RIPK1 (0.54) RIPK1JAK2NTRK1

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-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 — — EP disclosed
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