SCHEMBL1075856

SCHEMBL1075856

CC1CCN(C(=O)C(CCn2ccnc2[N+](=O)[O-])NC(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 15/20 0.64
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 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
SCHEMBL1076999 0.87 CCR10 (0.59) CCR10KMT2AGAALMNA
SCHEMBL12117384 0.84 CCR10 (0.61) CCR10KMT2AGAACA12CA1
Hydrochloric Acid SCHEMBL1075295 0.83 CCR10 (0.60) CCR10KMT2AGAACA12CA1
SCHEMBL1083431 0.82 CCR10 (0.71) CCR10
SCHEMBL1310601 0.80 CCR10 (0.75) CCR10
SCHEMBL1311259 0.80 CCR10 (0.78) CCR10
SCHEMBL1083086 0.80 CCR10 (0.74) CCR10
SCHEMBL1083374 0.80 CCR10 (0.74) CCR10
SCHEMBL1311130 0.79 CCR10 (0.67) CCR10
SCHEMBL1083434 0.79 CCR10 (0.74) CCR10

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-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed