SCHEMBL6981622

SCHEMBL6981622

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)[C@@H](C)N)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.68
MMP2 P08253 8/20 0.41
MMP3 P08254 7/20 0.41
MMP7 P09237 6/20 0.41
MMP1 P03956 5/20 0.41
MMP8 P22894 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
HTR2A P28223 3/20 0.40
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
FCER2 P06734 1/20 0.39
CTSC P53634 1/20 0.38

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
Hydrochloric Acid SCHEMBL6986451 0.99 ADAM17 (0.67) ADAM17MMP2MMP3MMP7MMP1
Hydrochloric Acid SCHEMBL6986409 0.92 ADAM17 (0.68) ADAM17MMP2MMP3MMP7MMP1
Hydrochloric Acid SCHEMBL6984718 0.92 ADAM17 (0.68) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6943944 0.92 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
Hydrochloric Acid SCHEMBL6982642 0.91 ADAM17 (0.65) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6983457 0.91 ADAM17 (0.69) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6981671 0.91 ADAM17 (0.69) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6983204 0.90 ADAM17 (0.61) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942575 0.90 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942567 0.90 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP claimed
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 claimed
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