SCHEMBL26238724

SCHEMBL26238724

Cc1ccccc1N1CCN(C(C)(C)C(=O)NCC(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 3/20 0.43
▸ ADRA1D P25100 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ AR P10275 4/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ DRD4 P21917 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
SCHEMBL26238505 0.90 LMNA (0.50) ALDH1A1LMNAMAPTTSHR
SCHEMBL26238629 0.88 REV1 (0.39) ALDH1A1LMNAMAPTDRD2DRD4
SCHEMBL25388967 0.86 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTTSHR
SCHEMBL25387883 0.86 MAPT (0.41) ALDH1A1MAPTDRD2DRD3DRD4
SCHEMBL26238708 0.86 ALDH1A1 (0.44) ALDH1A1HTTLMNAMAPTPKM
SCHEMBL26238735 0.85 DRD2 (0.42) ALDH1A1MAPTDRD2DRD3TSHR
SCHEMBL26238631 0.85 TSHR (0.50) ALDH1A1HTTLMNAMAPTDRD2
SCHEMBL26238797 0.84 DRD2 (0.54) ADRA1AALDH1A1HTTLMNADRD2
SCHEMBL26238734 0.84 AKR1C3 (0.46) AKR1C3DRD3
SCHEMBL26238728 0.84 DRD4 (0.49) ALDH1A1LMNADRD2DRD3AR

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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