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SCHEMBL7347209

SCHEMBL7347209

CC(C[CH]C(=O)NC(Cc1ccc(C#CC2CCCCC2)cc1)C(=O)NC(C)(C)C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.41
▸ ACACB O00763 7/20 0.36
▸ CACNA1B Q00975 1/20 0.35
▸ REN P00797 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ PTGES O14684 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 0.85 ACACB (0.43) ACACBCACNA1B
SCHEMBL7338601 0.85 ACACB (0.36) ACACBCACNA1B
SCHEMBL7337462 0.84 REN (0.38) CACNA1BRENPSMB5
SCHEMBL7345788 0.84 ALDH1A1 (0.42) ACACBCACNA1B
SCHEMBL7339993 0.82 CACNA1B (0.35) CACNA1BRENPSMB5
SCHEMBL7346462 0.81 ACACB (0.36) ACACB
SCHEMBL7347212 0.81 FFAR1 (0.45) FFAR1FFAR4ACACBCACNA1BREN
SCHEMBL7347656 0.80 CACNA1B (0.36) CACNA1BRENPSMB5
SCHEMBL7346012 0.79 FFAR1 (0.42) FFAR1ACACBPTGES
SCHEMBL7348064 0.78 CTSL (0.42) CACNA1BRENPSMB5

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