SCHEMBL8816136

SCHEMBL8816136

CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.62
P2RX7 Q99572 6/20 0.57
PABPC1 P11940 1/20 0.54
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL8816132 1.00 FPR2 (0.62) FPR2P2RX7PABPC1KDM4EKMT2A
SCHEMBL8817267 0.90 P2RX7 (0.57) P2RX7PABPC1KMT2AMEN1
SCHEMBL8817272 0.90 P2RX7 (0.57) P2RX7PABPC1KMT2AMEN1
SCHEMBL6626029 0.83 KMT2A (0.69) FPR2P2RX7PABPC1KDM4EKMT2A
SCHEMBL6582593 0.81 CYP2C19 (0.62) FPR2P2RX7KMT2A
SCHEMBL6585220 0.81 FPR2 (0.59) FPR2PABPC1KDM4EKMT2AMEN1
SCHEMBL27524304 0.81 FPR2 (0.59) FPR2PABPC1KDM4EKMT2AMEN1
SCHEMBL11257246 0.80 TACR1 (0.63) P2RX7
SCHEMBL11257249 0.80 TACR1 (0.63) P2RX7
SCHEMBL2375169 0.79 OPRK1 (0.53) P2RX7KMT2A

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
WO-1997019908-A1 PHENYLALANINE DERIVATIVES, OPTICALLY ACTIVE SUBSTANCES, SALTS OR COORDINATION COMPOUNDS THEREOF, AND THEIR USE AS FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1997-06-05 WO disclosed