SCHEMBL4258599

SCHEMBL4258599

CC1CCN(C(=O)C(CCc2ccccc2Cl)NC(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 4/20 0.64
CCKBR P32239 1/20 0.46
CCR1 P32246 4/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.44
PSMB5 P28074 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
P2RY12 Q9H244 1/20 0.42
CYP51A1 Q16850 1/20 0.42

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
SCHEMBL15936170 0.87 CCR10 (0.49) CCR10CCKBRCCR1ALDH1A1HPGD
SCHEMBL15935981 0.85 CCR10 (0.50) CCR10CCKBRCCR1ALDH1A1HPGD
SCHEMBL1336196 0.84 CCR10 (0.81) CCR10ALDH1A1
SCHEMBL15943414 0.83 CCR10 (0.60) CCR10ALDH1A1HPGDMEN1LMNA
SCHEMBL15943397 0.83 CCR10 (0.57) CCR10CCKBRCCR1ALDH1A1HPGD
SCHEMBL1337631 0.82 CCR10 (0.75) CCR10
SCHEMBL1336050 0.82 CCR10 (0.71) CCR10
SCHEMBL15943436 0.81 CCR10 (0.60) CCR10ALDH1A1HPGDMEN1LMNA
SCHEMBL1338168 0.81 CCR10 (0.70) CCR10
SCHEMBL1335999 0.81 CCR10 (0.82) 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-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
WO-2009142984-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-26 WO disclosed