SCHEMBL20274136

SCHEMBL20274136

O=C(CO)N1CCN(Cc2oc3ccc(F)cc3c2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL20274140 0.88 ALDH1A1 (0.48) KMT2ACYP2D6TSHRCYP2C19
SCHEMBL20274170 0.86 L3MBTL1 (0.44) MEN1KMT2A
SCHEMBL20274152 0.75 HTR2B (0.43) MEN1KMT2ACYP2D6CYP2C9ALOX15
SCHEMBL20274161 0.74 KCNH2 (0.52) MEN1KMT2ANPC1RAB9ACYP2D6
SCHEMBL20274189 0.73 L3MBTL1 (0.44) MEN1KMT2A
SCHEMBL20274113 0.72 SIGMAR1 (0.39) MEN1KMT2ACYP2D6CYP2C9ALOX15
SCHEMBL23336086 0.69 FAAH (0.57) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL20274144 0.69 MDH1 (0.38) MEN1KMT2ATSHR
SCHEMBL20274139 0.68 HRH4 (0.47) MEN1KMT2ANPC1RAB9ACYP2D6
SCHEMBL20274151 0.68 FAAH (0.48) MEN1KMT2ANPC1RAB9ACYP2D6

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