SCHEMBL4786755

SCHEMBL4786755

CCN[C@@H](CSCCNC(C)=N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
FOLH1 Q04609 2/20 0.33
ACE P12821 2/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14606948 0.80 TSHR (0.41) TSHRMTNR1AMTNR1BALDH1A1
SCHEMBL14606921 0.78 TSHR (0.42) TSHRFOLH1MTNR1AMTNR1BALDH1A1
SCHEMBL5511756 0.76 ARG1 (0.53) TSHR
SCHEMBL2757814 0.76 ARG1 (0.53) TSHR
SCHEMBL8470091 0.76 ARG1 (0.53) TSHR
SCHEMBL28709232 0.76 CPB2 (0.36) FOLH1ACE
Hydrochloric Acid SCHEMBL5514291 0.75 ARG1 (0.51) TSHRALDH1A1
Hydrochloric Acid SCHEMBL8469599 0.75 ARG1 (0.51) TSHRALDH1A1
SCHEMBL14607058 0.75 TSHR (0.40) TSHRMTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL5514288 0.75 ARG1 (0.51) TSHRALDH1A1

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
WO-2008090434-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-07-31 WO disclosed