SCHEMBL7346012

SCHEMBL7346012

CC(C[CH]C(=O)NC(Cc1ccc(C#Cc2ccccn2)cc1)C(=O)NC(C)(C)C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PTGES O14684 1/20 0.38
AKR1C3 P42330 1/20 0.38
ACACB O00763 11/20 0.37

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 0.89 ACACB (0.43) ACACB
SCHEMBL7338601 0.84 ACACB (0.36) ACACB
SCHEMBL7338183 0.83 KMT2A (0.41)
SCHEMBL7348064 0.81 CTSL (0.42)
SCHEMBL7343130 0.81 CTSL (0.42)
SCHEMBL7346462 0.81 ACACB (0.36) ACACB
SCHEMBL7346017 0.81 FFAR1 (0.45) FFAR1PTGESAKR1C3ACACB
SCHEMBL7338154 0.80 PPARG (0.51)
SCHEMBL7340724 0.79 PPARG (0.43)
SCHEMBL7347209 0.79 FFAR1 (0.41) FFAR1PTGESACACB

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