SCHEMBL24899435

SCHEMBL24899435

COc1ccc(F)c(C[C@H](C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.47
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL5981601 0.86 MTNR1B (0.44) MTNR1BCHRM2CHRM1CHRM3
SCHEMBL24915821 0.84 APP (0.41) MTNR1BAPP
SCHEMBL20322844 0.79 CTSS (0.50)
SCHEMBL2723926 0.77 LDHA (0.54)
SCHEMBL5981533 0.77 AAK1 (0.56) MTNR1B
SCHEMBL17118196 0.77 SCN9A (0.51)
SCHEMBL21029380 0.75 KIF11 (0.42) MTNR1B
SCHEMBL23841532 0.75 GAA (0.53) MTNR1BCHRM2CHRM1CHRM3
SCHEMBL18867917 0.75 GAA (0.53) MTNR1BCHRM2CHRM1CHRM3
SCHEMBL19428705 0.75 AAK1 (0.46) APP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 WO disclosed
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed