SCHEMBL24826477

SCHEMBL24826477

CC(C)c1cc(Cl)c2c(c1)CN(C(C)C)CCO2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL3353090 0.83 HTR4 (0.33) RIPK1TMEM97SIGMAR1KCNH2
SCHEMBL24823633 0.83 CSF1R (0.36) RIPK1
SCHEMBL24824864 0.81 PNMT (0.34) RIPK1SIGMAR1KCNH2
SCHEMBL2989704 0.79 RIPK1 (0.32) RIPK1
SCHEMBL24823540 0.78 PTGER2 (0.32) RIPK1
SCHEMBL2991734 0.77 NOTUM (0.43) RIPK1TMEM97SIGMAR1KCNH2
SCHEMBL12407085 0.74 NOTUM (0.44)
SCHEMBL24823595 0.72 ASIC3 (0.30)
SCHEMBL4949018 0.72 ALDH1A1 (0.37)
SCHEMBL24824515 0.72

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-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed