SCHEMBL25186802

SCHEMBL25186802

Cc1cc(N)nnc1N1CCN(C(=O)O)[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.47
SMO Q99835 11/20 0.43
LIMK2 P53671 4/20 0.40
BRD4 O60885 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 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
SCHEMBL25264481 1.00 TRPV1 (0.47) TRPV1SMOLIMK2BRD4SMARCA2
SCHEMBL30426401 0.83 MAP4K4 (0.50) TRPV1SMOSMARCA2SMARCA4PBRM1
SCHEMBL31105008 0.83 MAP4K4 (0.50) TRPV1SMOSMARCA2SMARCA4PBRM1
SCHEMBL30427234 0.79 TRPV1 (0.39) TRPV1
SCHEMBL25186827 0.77 TRPV1 (0.47) TRPV1SMOBRD4SMARCA2SMARCA4
SCHEMBL25264858 0.77 TRPV1 (0.47) TRPV1SMOBRD4SMARCA2SMARCA4
SCHEMBL25265269 0.76 PANK3 (0.48) SMOBRD4SMARCA2SMARCA4PBRM1
SCHEMBL25186819 0.76 PANK3 (0.48) SMOBRD4SMARCA2SMARCA4PBRM1
SCHEMBL27697487 0.76 CHRM1 (0.43) TRPV1LIMK2
SCHEMBL25267836 0.74 CHRM1 (0.44) TRPV1LIMK2

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-2023092098-A1 HETEROCYCLIC AMIDES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed