SCHEMBL20274201

SCHEMBL20274201

O=C(CO)N1CCN(Cc2nc3cc(Cl)ccc3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
HDAC6 Q9UBN7 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.48
F10 P00742 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
AKR1B1 P15121 3/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
LMNA P02545 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
SCHEMBL20651340 0.86 HDAC6 (0.49) EPHX2HDAC6ALDH1A1AKR1B1TRPV1
SCHEMBL20274207 0.86 HDAC6 (0.49) EPHX2HDAC6TSHRAKR1B1NPC1
SCHEMBL20964527 0.84 NPC1 (0.55) EPHX2HDAC6LOXL2F10AKR1B1
SCHEMBL20274125 0.83 AKR1B1 (0.53) HDAC6AKR1B1TRPV1
SCHEMBL25056951 0.80 LOXL2 (0.51) HDAC6LOXL2F10TSHRAKR1B1
SCHEMBL30470713 0.78 LOXL2 (0.55) HDAC6LOXL2F10ALDH1A1DRD2
SCHEMBL24366831 0.78 LOXL2 (0.55) HDAC6LOXL2F10ALDH1A1DRD2
SCHEMBL25057150 0.76 KDM4E (0.54) HDAC6LOXL2F10ALDH1A1DRD2
SCHEMBL20274205 0.74 SOS1 (0.51) EPHX2F10AKR1B1LMNA
SCHEMBL21104587 0.72 LOXL2 (0.70) HDAC6LOXL2AKR1B1TRPV1

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