SCHEMBL21130022

SCHEMBL21130022

O=C(C1CC1)C1CCC(n2ccc3c(Cl)ncnc32)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.40
▸ ADCY5 O95622 3/20 0.39
▸ PIP4K2A P48426 1/20 0.38
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ ACACB O00763 1/20 0.36
▸ NNMT P40261 8/20 0.36
▸ FGFR1 P11362 2/20 0.35
▸ FGFR4 P22455 2/20 0.35

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
SCHEMBL21130182 0.89 PIP4K2A (0.40) SLC22A12ADCY5PIP4K2APRMT5WDR77
SCHEMBL25047944 0.86 PIP4K2A (0.44) SLC22A12ADCY5PIP4K2APRMT5WDR77
SCHEMBL21129938 0.85 PIP4K2A (0.38) SLC22A12ADCY5PIP4K2APRMT5WDR77
SCHEMBL21129819 0.84 PIP4K2A (0.40) SLC22A12ADCY5PIP4K2APRMT5WDR77
SCHEMBL30372589 0.83 SLC22A12 (0.39) SLC22A12PIP4K2APRMT5WDR77ACACB
SCHEMBL29247142 0.83 SLC22A12 (0.39) SLC22A12PIP4K2APRMT5WDR77ACACB
SCHEMBL29247145 0.83 SLC22A12 (0.39) SLC22A12PIP4K2APRMT5WDR77ACACB
SCHEMBL16967987 0.82 PIP4K2A (0.49) SLC22A12PIP4K2APRMT5WDR77ACACB
SCHEMBL25047477 0.82 PIP4K2A (0.39) ADCY5PIP4K2APRMT5WDR77NNMT
SCHEMBL29247562 0.82 NNMT (0.41) SLC22A12PRMT5WDR77ACACBNNMT

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-3724190-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LTD (IN) 2022-07-06 — — EP disclosed
WO-2019116302-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LIMITED (IN) 2019-06-20 — — WO disclosed
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