SCHEMBL17977074

SCHEMBL17977074

CCC1CN(C2CCN(C(=O)O)CC2)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM5A P29375 5/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CHRM1 P11229 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17978936 0.81 TP53 (0.50) L3MBTL1TP53HTT
SCHEMBL17977057 0.80 KMT2A (0.34) ALOX5L3MBTL1KDM5ATP53TDP1
SCHEMBL19770245 0.78 ALDH1A1 (0.44) ALOX5L3MBTL1TSHRLMNA
SCHEMBL27670262 0.74 ACHE (0.32) L3MBTL1KDM5ATP53SMN1; SMN2
SCHEMBL30684534 0.73 CALCRL (0.33) —
SCHEMBL1814278 0.70 CALCRL (0.37) CHRM4
SCHEMBL17977094 0.68 TGM2 (0.44) L3MBTL1TSHR
SCHEMBL16530402 0.67 KMT2A (0.38) L3MBTL1KDM5A
SCHEMBL23297059 0.67 KMT2A (0.33) SMN1; SMN2
SCHEMBL23297056 0.67 KMT2A (0.33) SMN1; SMN2

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-3255993-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-12-20 — — EP disclosed
WO-2016130444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-08-18 — — WO disclosed
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