SCHEMBL7338601

SCHEMBL7338601

CC(C[CH]C(=O)NC(Cc1ccc(C#CC(C)(C)C)cc1)C(=O)NC(C)(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.36
CTSL P07711 1/20 0.34
CACNA1B Q00975 1/20 0.33

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
SCHEMBL7337043 0.90 ACACB (0.43) ACACBCTSLCACNA1B
SCHEMBL7346462 0.87 ACACB (0.36) ACACBCTSL
SCHEMBL7347209 0.85 FFAR1 (0.41) ACACBCACNA1B
SCHEMBL7345788 0.84 ALDH1A1 (0.42) ACACBCACNA1B
SCHEMBL7346012 0.84 FFAR1 (0.42) ACACB
SCHEMBL7347656 0.83 CACNA1B (0.36) CTSLCACNA1B
SCHEMBL7343130 0.83 CTSL (0.42) CTSLCACNA1B
SCHEMBL7348064 0.83 CTSL (0.42) CTSLCACNA1B
SCHEMBL7340724 0.81 PPARG (0.43) CTSLCACNA1B
SCHEMBL7338154 0.80 PPARG (0.51)

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed