SCHEMBL30373136

SCHEMBL30373136

NC(=O)[C@H]1CCC[C@@H](n2ccc3c(Cl)ncnc32)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 14/20 0.41
▸ SLC22A12 Q96S37 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL29247562 1.00 NNMT (0.41) NNMTSLC22A12KDM1AACACBPRMT5
SCHEMBL29247145 0.89 SLC22A12 (0.39) NNMTSLC22A12ACACBPRMT5WDR77
SCHEMBL30372589 0.89 SLC22A12 (0.39) NNMTSLC22A12ACACBPRMT5WDR77
SCHEMBL29247142 0.89 SLC22A12 (0.39) NNMTSLC22A12ACACBPRMT5WDR77
SCHEMBL30974881 0.83 GPR119 (0.38) NNMTSLC22A12ACACBPRMT5WDR77
SCHEMBL29247169 0.83 GPR119 (0.38) NNMTSLC22A12ACACBPRMT5WDR77
SCHEMBL29247166 0.83 GPR119 (0.38) NNMTSLC22A12ACACBPRMT5WDR77
SCHEMBL24753099 0.82 PIP4K2A (0.44) SLC22A12ACACBPRMT5WDR77
SCHEMBL21130022 0.82 SLC22A12 (0.40) NNMTSLC22A12ACACBPRMT5WDR77
SCHEMBL30974787 0.82 PRMT5 (0.41) NNMTSLC22A12ACACBPRMT5WDR77

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
EP-4408850-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2024-08-07 — — EP disclosed
WO-2023055920-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2023-04-06 — — WO disclosed
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