SCHEMBL20651289

SCHEMBL20651289

O=C(CO)N1CCN(CC2Cc3ccccc3N2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.41
CACNA1B Q00975 3/20 0.41
CACNB1 Q02641 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
CACNA1C Q13936 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MC4R P32245 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
CREBBP Q92793 1/20 0.36
MTNR1A P48039 2/20 0.36
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL13400119 0.79 ACHE (0.48) GAAMAPTHRH3MC4RSIGMAR1
SCHEMBL14614976 0.79 LMNA (0.45) GAAMAPTHRH3TSHRSIGMAR1
SCHEMBL31599453 0.79 GAA (0.44) GAAMAPTHRH3TSHRSIGMAR1
SCHEMBL10082773 0.78 LMNA (0.47) GAAMAPTHRH3TSHRSIGMAR1
SCHEMBL14615180 0.76 GAA (0.43) GAAMAPTHRH3CREBBPTSHR
SCHEMBL7686692 0.76 DRD4 (0.53) MC4RMEN1KMT2A
SCHEMBL14615106 0.75 GAA (0.62) GAAMAPTMC4RALDH1A1MEN1
SCHEMBL20274110 0.72 HRH3 (0.60) HRH3TSHRSIGMAR1
SCHEMBL2450511 0.70 CREBBP (0.59) GAAMAPTCREBBPMTNR1A
SCHEMBL1193549 0.70 CREBBP (0.59) GAAMAPTCREBBPMTNR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed