SCHEMBL6944369

SCHEMBL6944369

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NOC1CCCCO1)C(/C=C/c1cccc2ccccc12)(CC(C)C)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
TGFBR1 P36897 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
SCHEMBL6943556 0.88 ADAM17 (0.33) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL8111706 0.88 ADAM17 (0.33) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL6942209 0.88 ADAM17 (0.33) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL6943861 0.83 ADAM17 (0.39)
SCHEMBL6942714 0.83 ADAM17 (0.31) P2RX3
SCHEMBL6945811 0.83 ADAM17 (0.31) P2RX3
SCHEMBL6946731 0.81 ADAM17 (0.33) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL6946721 0.81 ADAM17 (0.32) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL6943358 0.81 ADAM17 (0.32) P2RX3CCNA2CDK2CCNA1CDK5
SCHEMBL6945554 0.81 ADAM17 (0.33) P2RX3CCNA2CDK2CCNA1CDK5

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed