SCHEMBL29136395

SCHEMBL29136395

CC(C)(C)c1c[nH]c([C@@H]2CCCN2C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
HCRTR1 O43613 9/20 0.36
HCRTR2 O43614 9/20 0.36
PRCP P42785 5/20 0.36

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
SCHEMBL29136398 1.00 RIPK1 (0.40) RIPK1HCRTR1HCRTR2PRCP
SCHEMBL20643725 0.88 RIPK1 (0.36) RIPK1HCRTR1HCRTR2PRCP
SCHEMBL17396047 0.86 ALDH1A1 (0.44)
SCHEMBL17396048 0.86 ALDH1A1 (0.44)
SCHEMBL13505827 0.82 RIPK1 (0.37) RIPK1HCRTR1HCRTR2PRCP
SCHEMBL18930204 0.81 RIPK1 (0.32) RIPK1HCRTR1HCRTR2PRCP
SCHEMBL13012679 0.81 PREP (0.44) PRCP
SCHEMBL750549 0.80 HCRTR1 (0.35) RIPK1HCRTR1HCRTR2PRCP
SCHEMBL14857164 0.80 RIPK1 (0.34) RIPK1HCRTR1HCRTR2PRCP
SCHEMBL28088731 0.80 HCRTR1 (0.35) RIPK1HCRTR1HCRTR2PRCP

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
CN-117321059-A Tetracyclic compounds for the treatment of Zika virus infection 吉利德科学公司 2023-12-29 CN disclosed