SCHEMBL4976840

SCHEMBL4976840

Cc1ccc2c(c1)[C@]1(C(=O)NC(=O)N1Cc1cccc(Cl)c1Cl)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
P2RX7 Q99572 3/20 0.36
DBH P09172 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.34
CXCR4 P61073 1/20 0.34
ADAMTS5 Q9UNA0 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
SCHEMBL4977915 0.79 KDM4E (0.42) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4976844 0.77 KMT2A (0.38) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4979612 0.74 TP53 (0.39) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4974508 0.72 POLB (0.43) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4979964 0.71 CYP1A2 (0.42) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4979421 0.71 CYP1A2 (0.42) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4979162 0.71 CYP1A2 (0.42) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL3953438 0.69 CYP1A2 (0.43) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4979242 0.68 POLB (0.43) POLBCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4259355 0.68 MAPT (0.39) MAPTP2RX7DBHALDH1A1ADAMTS5

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