SCHEMBL15936170

SCHEMBL15936170

CC1CCN(C(=O)C(CCc2ccccc2Br)NC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 3/20 0.49
CCKBR P32239 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 3/20 0.43
HPGD P15428 1/20 0.43
CCR1 P32246 2/20 0.41
ACHE P22303 1/20 0.41
FPR2 P25090 1/20 0.41
P2RY12 Q9H244 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4258599 0.87 CCR10 (0.64) CCR10CCKBRALDH1A1GAAHPGD
SCHEMBL15935981 0.85 CCR10 (0.50) CCR10CCKBRALDH1A1GAAHPGD
SCHEMBL15936141 0.80 CCR10 (0.49) CCR10CCKBRALDH1A1GAAHPGD
SCHEMBL15936083 0.79 ALDH1A1 (0.48) CCR10ALDH1A1GAAHPGDP2RY12
SCHEMBL15936005 0.78 CCR10 (0.48) CCR10CCKBRALDH1A1GAAHPGD
SCHEMBL1337248 0.77 HPGD (0.40) CCR10ALDH1A1GAAHPGDACHE
SCHEMBL1336030 0.74 CCR10 (0.66) CCR10
SCHEMBL4254115 0.72 HPGD (0.44) CCR10ALDH1A1GAAHPGDACHE
SCHEMBL1336196 0.72 CCR10 (0.81) CCR10ALDH1A1
SCHEMBL15943397 0.70 CCR10 (0.57) CCR10CCKBRALDH1A1HPGDCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294051-B1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed