SCHEMBL28388782

SCHEMBL28388782

CCN(CC)C(C)CC(N)Cc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ CTSC P53634 3/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HTR6 P50406 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
SCHEMBL28011749 0.80 RAB9A (0.47) RAB9ACYP2C19CTSCTAAR1SMN1; SMN2
SCHEMBL12262584 0.77 CYP2C19 (0.48) RAB9ACYP2C19CTSCTAAR1SMN1; SMN2
SCHEMBL12262043 0.77 CYP2C19 (0.48) RAB9ACYP2C19CTSCTAAR1SMN1; SMN2
SCHEMBL1425381 0.77 CYP2C19 (0.48) RAB9ACYP2C19CTSCTAAR1SMN1; SMN2
SCHEMBL657170 0.76 CYP2C19 (0.55) RAB9ACYP2C19CTSCTAAR1
SCHEMBL9326082 0.74 CYP2C19 (0.46) RAB9ACYP2C19CTSCTAAR1SMN1; SMN2
SCHEMBL1425401 0.73 — —
SCHEMBL6634048 0.73 — —
SCHEMBL6638026 0.73 — —
SCHEMBL2753684 0.72 CYP2C19 (0.44) RAB9ACYP2C19CTSCTAAR1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072597-B Piperine derivative and preparation method and application thereof 四川大学 2022-12-09 — — CN disclosed
CN-111072597-A Piperine derivative and preparation method and application thereof 四川大学 2020-04-28 — — CN disclosed
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