SCHEMBL20274121

SCHEMBL20274121

CC1CN(Cc2ccc3cc(F)ccc3c2)[C@@H](C)CN1C(=O)CO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.50
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
NQO2 P16083 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
ACTR2 P61160 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CCR3 P51677 7/20 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
SCHEMBL6076924 0.88 CCR1 (0.58) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL20274165 0.85 PDK1 (0.46) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL20274153 0.79 CCR3 (0.43) CCR3
SCHEMBL20274164 0.78 KCNH2 (0.42) CCR1
SCHEMBL2932864 0.78 CCR1 (0.58) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL6256307 0.78 CCR1 (0.58) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5971697 0.78 CCR1 (0.58) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5059509 0.77 CCR1 (0.66) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5059516 0.77 CCR1 (0.66) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5059507 0.77 CCR1 (0.66) CCR1MAPK11MAPK14MAPK13MAPK12

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-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed