SCHEMBL26238523

SCHEMBL26238523

COCCNC(=O)C(C)(C)N1CCN(c2cccc(C)c2C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ MAPT P10636 3/20 0.50
▸ HTR2A P28223 5/20 0.48
▸ HTR2C P28335 5/20 0.48
▸ SLC6A4 P31645 5/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ DRD3 P35462 2/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL26238503 0.87 ALDH1A1 (0.53) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238502 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238525 0.84 ALDH1A1 (0.48) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238622 0.84 LMNA (0.48) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238620 0.83 ALDH1A1 (0.52) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238518 0.83 ALDH1A1 (0.52) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238623 0.83 MEN1 (0.55) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238505 0.81 LMNA (0.50) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238509 0.81 TSHR (0.60) ALDH1A1MAPTHTR2AHTR2CSLC6A4
SCHEMBL26238618 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHTR2AHTR2CSLC6A4

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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