SCHEMBL20274200

SCHEMBL20274200

CC(c1oc2ccc(C(F)(F)F)cc2c1Cl)N1CCN(C(=O)CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MC4R P32245 8/20 0.38
CACNA2D1 P54289 2/20 0.37
CACNA1B Q00975 2/20 0.37
CACNB1 Q02641 2/20 0.37
CACNA1C Q13936 2/20 0.37
PIM1 P11309 1/20 0.37
CACNA1A O00555 1/20 0.36
DPP7 Q9UHL4 2/20 0.36

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
SCHEMBL20274215 0.79 PIM1 (0.43) HRH3L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL20274170 0.78 L3MBTL1 (0.44) L3MBTL1PIM1
SCHEMBL15727726 0.76 AR (0.36) L3MBTL1MC4R
SCHEMBL15727730 0.75 STAT3 (0.34) MC4RPIM1
SCHEMBL15750158 0.73 PIM1 (0.41) HRH3L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL20274189 0.72 L3MBTL1 (0.44) HRH3L3MBTL1
SCHEMBL20274131 0.69 HRH4 (0.48) HRH3L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL20274202 0.69 AKR1B1 (0.50) HRH3L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL23335840 0.68 PIM1 (0.56) HRH3PIM1
SCHEMBL20274172 0.67 POLB (0.38) HRH3CACNA2D1CACNA1BCACNB1CACNA1C

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