SCHEMBL20274205

SCHEMBL20274205

O=C(CO)N1CCN(Cc2nc3cc(Cl)ccc3o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.51
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
F10 P00742 1/20 0.46
AKR1B1 P15121 1/20 0.45
TP53 P04637 1/20 0.45
EPHX2 P34913 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
CACNA1G O43497 2/20 0.43
KCNH2 Q12809 2/20 0.43
LMNA P02545 1/20 0.42
FASN P49327 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL20274161 0.86 KCNH2 (0.52) TP53KMT2AMEN1CACNA1GKCNH2
SCHEMBL20274177 0.83 AKR1B1 (0.48) AKR1B1TP53KMT2AMEN1CACNA1G
SCHEMBL20274139 0.79 HRH4 (0.47) AKR1B1EPHX2KMT2AMEN1KCNH2
SCHEMBL20274216 0.76 HTR2B (0.46) EPHX2KMT2AMEN1KCNH2LMNA
SCHEMBL20274140 0.75 ALDH1A1 (0.48) TP53EPHX2KMT2AKCNH2LMNA
SCHEMBL20274201 0.74 EPHX2 (0.52) F10AKR1B1EPHX2LMNA
SCHEMBL21104415 0.72 MEN1 (0.62) AKR1B1TP53KMT2AMEN1KCNH2
SCHEMBL23964257 0.71 SOS1 (0.47) SOS1HCRTR1HCRTR2F10TP53
SCHEMBL20274196 0.71 HRH4 (0.73) LMNA
SCHEMBL9074105 0.70 AKR1B1 (0.58) AKR1B1KMT2AMEN1KCNH2LMNA

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