SCHEMBL31020152

SCHEMBL31020152

[2H]C([2H])C(N)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
AOC3 Q16853 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ACHE P22303 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL146546 0.85 IDO1 (0.48) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL800515 0.85 IDO1 (0.48) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL781357 0.85 IDO1 (0.48) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL29876183 0.85 IDO1 (0.48) IDO1TDO2AOC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL507110 0.83 IDO1 (0.52) IDO1TDO2AOC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL1239204 0.83 IDO1 (0.52) IDO1TDO2AOC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL780403 0.83 IDO1 (0.52) IDO1TDO2AOC3HDAC4HDAC7
Bromide SCHEMBL28591637 0.83 IDO1 (0.47) IDO1TDO2AOC3HDAC4HDAC7
Iodide SCHEMBL29040444 0.83 IDO1 (0.47) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL12568799 0.76 IDO1 (0.52) IDO1TDO2AOC3HDAC4HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed