SCHEMBL4974508

SCHEMBL4974508

C=CCN1C(=O)NC(=O)[C@@]12C(=O)Nc1ccc(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADAMTS5 Q9UNA0 3/20 0.40
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 3/20 0.37
BRD4 O60885 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ROS1 P08922 1/20 0.33

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
SCHEMBL4979612 0.80 TP53 (0.39) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL4979162 0.77 CYP1A2 (0.42) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL4979421 0.77 CYP1A2 (0.42) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL4979964 0.77 CYP1A2 (0.42) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL3953438 0.75 CYP1A2 (0.43) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL4974510 0.73 CNR1 (0.49) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL4976840 0.72 POLB (0.37) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL4977915 0.71 KDM4E (0.42) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL4979242 0.67 POLB (0.43) POLBCYP1A2CYP3A4CYP2C19ADAMTS5
SCHEMBL2265773 0.66 CYP1A2 (0.57) POLBCYP1A2CYP3A4CYP2C19ADAMTS5

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