SCHEMBL12955904

SCHEMBL12955904

CC(=O)Nc1nnc(-c2ncc(Cl)cc2NSc2ccc(C(C)(C)C)cc2)n1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.33
▸ TRPV1 Q8NER1 8/20 0.32
▸ CCR9 P51686 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ OGA O60502 2/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RORC P51449 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
SCHEMBL1034964 0.83 HSD17B2 (0.46) CCR9
SCHEMBL1035106 0.72 HSD17B2 (0.47) CCR9
SCHEMBL12955953 0.72 ALDH1A1 (0.39) CCR9ALDH1A1SMN1; SMN2LMNA
SCHEMBL14313772 0.70 MEN1 (0.34) —
SCHEMBL1035070 0.69 HSD17B2 (0.47) CCR9
SCHEMBL1076570 0.69 HSD17B2 (0.43) CCR9
Dimethylamine SCHEMBL1076568 0.69 HSD17B2 (0.45) CCR9
SCHEMBL1036740 0.69 HSD17B2 (0.45) CCR9
SCHEMBL1038561 0.69 HSD17B2 (0.44) CCR9
SCHEMBL1034935 0.68 CCR9 (0.45) CCR9

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-2049515-B1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS CHEMOCENTRYX INC (US) 2011-01-26 — — EP disclosed
WO-2008008375-A2 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2008-01-17 — — WO disclosed
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