SCHEMBL21667221

SCHEMBL21667221

CCC(C)n1c(=O)cc(NCC2=CCCC=C2)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34

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
SCHEMBL21667352 0.73 KMT2A (0.41) CYP3A4CYP2B6
SCHEMBL21667390 0.73 POLB (0.39) —
SCHEMBL16321589 0.67 KMT2A (0.41) CYP3A4CYP2B6
SCHEMBL16321588 0.67 KMT2A (0.41) CYP3A4CYP2B6
SCHEMBL9218487 0.66 SMN1; SMN2 (0.39) CYP3A4CYP2B6
SCHEMBL24313029 0.65 CYP3A4 (0.48) CYP3A4CYP2B6
SCHEMBL16356126 0.65 CYP3A4 (0.76) CYP3A4CYP2B6
SCHEMBL30825575 0.64 SMN1; SMN2 (0.38) CYP3A4CYP2B6
SCHEMBL21667210 0.64 SMN1; SMN2 (0.47) CYP3A4CYP2B6
SCHEMBL21667361 0.64 SMN1; SMN2 (0.49) CYP3A4CYP2B6

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
EP-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP disclosed
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