SCHEMBL25787741

SCHEMBL25787741

NC(=O)c1cnc2c(c1)CCN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 7/20 1.00
▸ PIK3C3 Q8NEB9 1/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ ASIC3 Q9UHC3 1/20 0.42
▸ ABL1 P00519 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CRBN Q96SW2 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PSMD14 O00487 1/20 0.35
▸ STAMBP O95630 1/20 0.35
▸ COPS5 Q92905 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 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
SCHEMBL25787747 0.90 NNMT (1.00) NNMTPIK3C3GRM5ASIC3SMN1; SMN2
SCHEMBL1680658 0.85 NNMT (0.73) NNMTPIK3C3GRM5ASIC3ABL1
SCHEMBL10293369 0.82 NNMT (0.69) NNMTPIK3C3ASIC3ABL1PIK3CD
SCHEMBL17173795 0.81 NNMT (0.68) NNMTPIK3C3GRM5ASIC3ABL1
SCHEMBL13332908 0.80 NNMT (0.66) NNMTPIK3C3GRM5ASIC3ABL1
SCHEMBL25787975 0.79 NNMT (0.66) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL8389605 0.79 NNMT (0.64) NNMTPIK3C3ASIC3ABL1ALOX5AP
SCHEMBL12960636 0.77 NNMT (0.62) NNMTPIK3C3GRM5ASIC3ABL1
SCHEMBL25787851 0.76 NNMT (0.62) NNMTGRM5ALOX5APFEN1CHRNB2
SCHEMBL22226403 0.76 NNMT (0.61) NNMTPIK3C3GRM5CRBN

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-2023129512-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-06 — — WO disclosed
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