SCHEMBL28699199

SCHEMBL28699199

O=C(O)N1Cc2cn(CC3CCCCC3)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
ENPP2 Q13822 1/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
NAMPT P43490 2/20 0.39
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHR1 P34998 2/20 0.35
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL28678787 0.93 HTT (0.37) HTTGAAENPP2RAB9AHPGD
SCHEMBL24507072 0.82 SLC34A1 (0.42) ENPP2HPGDNAMPT
SCHEMBL17202434 0.82 HTT (0.33) HTTGAATSHRALDH1A1SMN1; SMN2
SCHEMBL24507073 0.80 SLC34A1 (0.43) NAMPT
SCHEMBL24506914 0.74 SLC34A1 (0.46) NAMPT
SCHEMBL2364148 0.74 HTT (0.44) HTTGAARAB9AHPGDTSHR
SCHEMBL17202602 0.74 SLC6A9 (0.45) NAMPT
SCHEMBL17202438 0.72 DPP4 (0.39) HTTGAATSHRNAMPTALDH1A1
SCHEMBL2364142 0.71 DPP4 (0.41) NAMPT
SCHEMBL15152954 0.71 DPP4 (0.39) HTTGAATSHRALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113891891-A Modulators of AMPA receptor signaling 戒毒及精神健康中心 2022-01-04 CN disclosed