SCHEMBL6987284

SCHEMBL6987284

CC(C)C[C@@H](C(=O)NN(CC1CCCCC1)C(=O)[C@@H](C)N)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.42
TGFBR1 P36897 1/20 0.32
P2RX3 P56373 1/20 0.32
CTSC P53634 1/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
APP P05067 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL6988681 0.98 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSCCNR1
SCHEMBL6988246 0.91 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSCAPP
SCHEMBL6984594 0.91 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSCAPP
SCHEMBL6986737 0.91 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSCAPP
SCHEMBL6987093 0.90 ADAM17 (0.44) ADAM17TGFBR1P2RX3CTSCAPP
SCHEMBL6982297 0.90 ADAM17 (0.42) ADAM17TGFBR1P2RX3CTSCAPP
SCHEMBL6986902 0.89 ADAM17 (0.42) ADAM17TGFBR1P2RX3CTSC
SCHEMBL6987120 0.89 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSCAPP
SCHEMBL6987554 0.89 ADAM17 (0.42) ADAM17TGFBR1P2RX3CTSCAPP
SCHEMBL6987794 0.89 ADAM17 (0.42) ADAM17TGFBR1P2RX3CTSC

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed