SCHEMBL28901686

SCHEMBL28901686

C1CCCCCCC(N2CCC2)CCCCCC1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.48
HTR6 P50406 1/20 0.48
SLC18A3 Q16572 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB1 P08183 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL2635230 1.00 PHGDH (0.48) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL9363970 1.00 PHGDH (0.48) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL28057352 1.00 PHGDH (0.48) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL12856247 0.97 PHGDH (0.52) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL26699618 0.97
SCHEMBL29019578 0.94 HTR6 (0.50) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL29058882 0.94 HTR6 (0.50) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL24782761 0.93 HTR6 (0.54) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL22216666 0.93 HTR6 (0.54) PHGDHMGLLHTR6SLC18A3MEN1
SCHEMBL21057384 0.93 HTR6 (0.54) PHGDHMGLLHTR6SLC18A3MEN1

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-115279416-A Reactive conjugates 德彪药业国际股份公司 2022-11-01 CN disclosed