SCHEMBL6509892

SCHEMBL6509892

C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Oc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.44
P2RX2 Q9UBL9 1/20 0.43
P2RX7 Q99572 4/20 0.43
ITGB1 P05556 5/20 0.43
ITGA4 P13612 5/20 0.43
STS P08842 1/20 0.43
MAPT P10636 1/20 0.42
ENPP3 O14638 1/20 0.42
CA2 P00918 1/20 0.42
ENPP1 P22413 1/20 0.42
ENPP2 Q13822 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL6512179 0.80 KMT2A (0.64) ITGB1ITGA4MAPTKMT2A
SCHEMBL28097863 0.78 TYK2 (0.52) ALDH1A1ITGB1ITGA4MAPTKMT2A
SCHEMBL6509781 0.76 KLK7 (0.44) ALDH1A1ITGB1ITGA4KMT2A
SCHEMBL6679298 0.74 KMT2A (0.49) ALDH1A1ITGB1ITGA4MAPTKMT2A
SCHEMBL8279078 0.69 CNR2 (0.64) CNR2P2RX7KMT2A
Hydrochloric Acid SCHEMBL6514192 0.67 TYK2 (0.51) ITGB1ITGA4MAPTKMT2A
SCHEMBL7563566 0.67 MAPT (0.46) ALDH1A1ITGB1ITGA4MAPT
SCHEMBL1167370 0.67 P2RX2 (0.76) CNR2P2RX2P2RX7STSMAPT
SCHEMBL12020093 0.65 MAPT (0.48) ALDH1A1ITGB1ITGA4MAPTKMT2A
SCHEMBL3321310 0.65 CA9 (0.64) CNR2ALDH1A1P2RX2P2RX7STS

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
US-6911451-B1 Phenylalanine derivatives CELLTECH R&D LIMITED (GB) 2005-06-28 US disclosed