SCHEMBL1820560

SCHEMBL1820560

CCC(C)C(N)(CCN1CCOCC1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ ARG1 P05089 1/20 0.41
▸ ARG2 P78540 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ TP53 P04637 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
SCHEMBL2009700 1.00 MEN1 (0.44) MEN1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL1818746 1.00 MEN1 (0.44) MEN1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL1819014 0.94 MEN1 (0.42) MEN1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL1817609 0.90 MEN1 (0.38) MEN1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL8190977 0.76 ARG1 (0.51) MEN1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL8843134 0.75 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL28884585 0.70 ARG1 (0.55) MEN1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL2435688 0.68 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL14562932 0.67 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL4405073 0.67 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT

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-2498782-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS Pharmatrophix Inc. (US) 2012-09-19 — — EP disclosed
WO-2011060262-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. (US) 2011-05-19 — — WO disclosed
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