SCHEMBL28678787

SCHEMBL28678787

O=C(O)N1Cc2cn(CC3CC3)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
CRHR1 P34998 2/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33
CREBBP Q92793 2/20 0.32
ENPP2 Q13822 1/20 0.32
BRD4 O60885 1/20 0.32
SLC6A9 P48067 1/20 0.32
SLC34A1 Q06495 1/20 0.32

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
SCHEMBL28699199 0.93 HTT (0.40) HTTCRHR1GAASMN1; SMN2NAMPT
SCHEMBL17202434 0.85 HTT (0.33) HTTGAASMN1; SMN2HDAC1HDAC2
SCHEMBL24506914 0.80 SLC34A1 (0.46) NAMPTHDAC1SLC34A1
SCHEMBL2364148 0.78 HTT (0.44) HTTGAASMN1; SMN2HDAC1HDAC2
SCHEMBL24507073 0.76 SLC34A1 (0.43) NAMPTHDAC1SLC34A1
SCHEMBL17202438 0.75 DPP4 (0.39) HTTGAASMN1; SMN2NAMPTHDAC1
SCHEMBL24507072 0.75 SLC34A1 (0.42) NAMPTHDAC1HPGDENPP2SLC34A1
SCHEMBL28383936 0.73 HTT (0.38) HTTCRHR1GAASMN1; SMN2TSHR
SCHEMBL19005685 0.72 ESR2 (0.46) CRHR1SMN1; SMN2SLC34A1
SCHEMBL28703394 0.72 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1RAB9A

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