SCHEMBL4976844

SCHEMBL4976844

Cc1ccc2c(c1)C1(NC(=O)N(Cc3cccc(Cl)c3Cl)C1=O)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKR1B1 P15121 1/20 0.35
CXCR4 P61073 1/20 0.35
HTT P42858 2/20 0.34
P2RX7 Q99572 1/20 0.34
DBH P09172 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
SCHEMBL4259355 0.82 MAPT (0.39) PTGDR2MAPTP2RX7DBH
SCHEMBL4977919 0.80 KMT2A (0.40) KMT2APTGDR2POLBCYP3A4CYP2C19
SCHEMBL4976840 0.77 POLB (0.37) MAPTCYP1A2POLBCYP3A4CYP2C19
SCHEMBL4979616 0.75 KMT2A (0.37) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL2484248 0.74 PTGDR2 (0.64) KMT2APTGDR2MAPTPOLB
SCHEMBL4974510 0.74 CNR1 (0.49) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL4979970 0.73 AKR1B1 (0.41) KMT2ACYP1A2POLBCYP3A4CYP2C19
SCHEMBL4979166 0.73 CYP1A2 (0.39) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL4979426 0.73 CNR1 (0.51) KMT2AMAPTCYP1A2POLBCYP3A4
SCHEMBL2486352 0.72 PTGDR2 (0.62) PTGDR2AKR1B1

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-1984374-A1 USE OF SPIRO Ý IMIDAZOLIDINE-4, 3'-INDOLE¨2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 AstraZeneca AB (SE) 2008-10-29 EP disclosed
WO-2007091946-A1 USE OF SPIRO [ IMIDAZOLIDINE-4, 3'-INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO disclosed