SCHEMBL28014789

SCHEMBL28014789

CC(C)(C)NC(=O)OC1CCCCC1N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 3/20 0.46
▸ OPRK1 P41145 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ CHRNA7 P36544 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ NTMT1 Q9BV86 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28014791 0.97 SLC18A3 (0.43) SLC18A3OPRK1OPRM1SMN1; SMN2MEN1
SCHEMBL12015487 0.77 SLC18A3 (0.44) SLC18A3OPRK1OPRM1MEN1ALDH1A1
SCHEMBL12015482 0.76 SLC18A3 (0.43) SLC18A3OPRK1OPRM1CHRNA7MEN1
SCHEMBL27919816 0.76 CYP19A1 (0.40) TSHRHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL27895229 0.76 GSR (0.42) SMN1; SMN2MEN1KMT2AHSD17B10DPP4
SCHEMBL1027856 0.75 NTMT1 (0.36) SLC18A3SMN1; SMN2ALDH1A1DPP4NTMT1
SCHEMBL27701856 0.75 SLC18A3 (0.34) SLC18A3ALDH1A1NTMT1L3MBTL1
SCHEMBL18398614 0.74 LMNA (0.33) TSHRSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL27621632 0.74 LMNA (0.33) TSHRSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL28064432 0.74 LMNA (0.33) TSHRSMN1; SMN2MEN1ALDH1A1KMT2A

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-102482203-B Carbocyclic GLYT1 receptor antagonists HOFFMANN LA ROCHE 2015-06-03 — — CN disclosed
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