SCHEMBL19547178

SCHEMBL19547178

OC[CH]CN1CCC[C@@H]1c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ OPRK1 P41145 5/20 0.32
▸ OPRM1 P35372 4/20 0.32
▸ OPRD1 P41143 3/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ ALDH1A2 O94788 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
SCHEMBL19547196 0.79 NTRK1 (0.41) OPRM1
SCHEMBL16474295 0.68 RIPK1 (0.34) RIPK1LMNAOPRK1OPRM1OPRD1
SCHEMBL20340606 0.68 KDM4E (0.38) RIPK1LMNAPSEN1PSEN2APH1B
SCHEMBL15037563 0.67 RIPK1 (0.36) RIPK1
SCHEMBL19547159 0.67 PSEN1 (0.34) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL19547156 0.67 PSEN1 (0.34) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL24508692 0.67 RIPK1 (0.52) RIPK1LMNAOPRK1OPRM1OPRD1
SCHEMBL19547145 0.67 JAK2 (0.33) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL28828299 0.66 NTRK1 (0.40) OPRM1
SCHEMBL16881533 0.65 OPRK1 (0.33) RIPK1OPRK1OPRM1OPRD1

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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