SCHEMBL6982398

SCHEMBL6982398

CC(C)CNNC(=O)[C@H](CC(C)C)[C@H](CC=Cc1cccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
RAB9A P51151 2/20 0.39
ADAM17 P78536 3/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
TBXAS1 P24557 1/20 0.35
ALOX5 P09917 2/20 0.34
HDAC3 O15379 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL6942460 0.89 ADAM17 (0.46) ADAM17KMT2AMMP1MMP2MMP3
SCHEMBL6944742 0.88 CHRNB2 (0.43) CHRNB2CHRNA4RAB9AADAM17CHRNB4
SCHEMBL6979640 0.81 ADAM17 (0.44) ADAM17HDAC3MMP1MMP2MMP3
SCHEMBL6941589 0.80 ADAM17 (0.49) CHRNB2CHRNA4RAB9AADAM17TBXAS1
SCHEMBL6940963 0.79 CTSL (0.41) CHRNA7
SCHEMBL6981638 0.79 ADAM17 (0.46) ADAM17MMP2MMP3MMP7
SCHEMBL6987317 0.78 ADAM17 (0.44) ADAM17CYP2C9CYP2C19MMP1MMP2
SCHEMBL6942710 0.77 ADAM17 (0.46) ADAM17KMT2ALMNAMMP1MMP2
SCHEMBL6986685 0.76 REN (0.40) ADAM17MMP1MMP2MMP3
SCHEMBL6944086 0.76 ADAM17 (0.42) ADAM17MEN1KMT2AMMP1MMP2

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