SCHEMBL24666513

SCHEMBL24666513

CC(C)c1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2nn(C)c(=O)o2)c2ccccc2)nc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 7/20 0.41
▸ CFD P00746 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ XIAP P98170 8/20 0.35
▸ BIRC3 Q13489 6/20 0.35
▸ BIRC2 Q13490 6/20 0.35
▸ BIRC8 Q96P09 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34

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
SCHEMBL26842731 0.88 TACR1 (0.41) TACR1CFDDPP8DPP7XIAP
SCHEMBL24666300 0.88 CFD (0.35) CFDXIAPBIRC3BIRC2BIRC8
SCHEMBL29230621 0.88 CFD (0.35) CFDXIAPBIRC3BIRC2BIRC8
SCHEMBL26833084 0.86 CFD (0.41) TACR1CFDDPP8DPP7XIAP
SCHEMBL24666515 0.85 TACR1 (0.41) TACR1CFDDPP8DPP7XIAP
SCHEMBL24666624 0.81 TACR1 (0.46) TACR1CFDDPP8DPP7F2
SCHEMBL24666612 0.80 TACR1 (0.46) TACR1CFDDPP8DPP7XIAP
SCHEMBL24666613 0.80 TACR1 (0.46) TACR1CFDDPP8DPP7F2
SCHEMBL26842786 0.80 TACR1 (0.40) TACR1CFDDPP8DPP7XIAP
SCHEMBL26842776 0.79 TACR1 (0.41) TACR1CFDDPP8DPP7F2

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-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
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