SCHEMBL26238622

SCHEMBL26238622

Cc1cccc(N2CCN(C(C)(C)C(=O)NCCC(C)C)CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 4/20 0.47
▸ HTR2A P28223 5/20 0.46
▸ HTR2C P28335 5/20 0.46
▸ SLC6A4 P31645 5/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL26238505 0.88 LMNA (0.50) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238503 0.87 ALDH1A1 (0.53) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238502 0.84 ALDH1A1 (0.55) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238523 0.84 ALDH1A1 (0.65) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238525 0.84 ALDH1A1 (0.48) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238518 0.83 ALDH1A1 (0.52) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238620 0.83 ALDH1A1 (0.52) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238623 0.83 MEN1 (0.55) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238509 0.81 TSHR (0.60) LMNAALDH1A1MAPTHTR2AHTR2C
SCHEMBL26238724 0.79 ADRA1A (0.43) LMNAALDH1A1MAPTTSHRDRD2

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
WO-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
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