SCHEMBL2663436

SCHEMBL2663436

CCN(C)Cc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 14/20 0.55
▸ TMEM97 Q5BJF2 12/20 0.55
▸ HDAC1 Q13547 1/20 0.52
▸ ACKR3 P25106 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ GCGR P47871 1/20 0.48
▸ ACHE P22303 1/20 0.47

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
SCHEMBL2663435 0.84 CA1 (0.52) SIGMAR1TMEM97HDAC8HDAC6CA1
SCHEMBL13799956 0.82 MCHR1 (0.51) SIGMAR1TMEM97ACKR3CA1CA2
SCHEMBL3199550 0.82 GCGR (0.58) CA1CA2MAPK1GCGR
SCHEMBL13800570 0.80 CA1 (0.50) SIGMAR1TMEM97HDAC1ACKR3HDAC6
SCHEMBL9717434 0.79 MAPK1 (0.71) HDAC8HDAC6CA1CA2MAPK1
SCHEMBL3195210 0.79 L3MBTL1 (0.61) SIGMAR1TMEM97HDAC8HDAC6CA1
SCHEMBL24590556 0.78 KMT2A (0.54) SIGMAR1TMEM97HDAC1ACKR3HDAC6
SCHEMBL13800502 0.78 CA1 (0.45) SIGMAR1TMEM97ACKR3CA1CA2
SCHEMBL15071635 0.77 FFAR1 (0.53) HDAC1CA1CA2
SCHEMBL9072937 0.77 CA1 (0.52) HDAC1HDAC8HDAC6CA1CA2

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-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 — — WO disclosed
Send feedback