SCHEMBL24894643

SCHEMBL24894643

CNSc1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.44
▸ HTR1A P08908 9/20 0.40
▸ HTR3A P46098 9/20 0.40
▸ TP53 P04637 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ HTR5A P47898 2/20 0.38
▸ HTR6 P50406 2/20 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
SCHEMBL21665978 0.78 PKM (0.37) TDP1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29411684 0.75 NPC1 (0.50) HAO1HTR1AHTR3ATP53TDP1
SCHEMBL76793 0.75 HAO1 (0.55) HAO1HTR1AHTR3ATP53TDP1
SCHEMBL576257 0.75 NPC1 (0.50) HAO1HTR1AHTR3ATP53TDP1
SCHEMBL29475022 0.75 HAO1 (0.55) HAO1HTR1AHTR3ATP53TDP1
SCHEMBL9515924 0.74 LMNA (0.45) HAO1HTR1AHTR3ATP53TDP1
SCHEMBL21253047 0.74 NPC1 (0.42) HAO1HTR1AHTR3ACYP1A2ADRB2
SCHEMBL735441 0.73 HSD17B10 (0.44) HAO1HTR1AHTR3ATP53TDP1
SCHEMBL11325280 0.71 HAO1 (0.43) HAO1HTR1AHTR3ATP53TDP1
SCHEMBL11482988 0.71 HAO1 (0.43) HAO1HTR1AHTR3ATP53TDP1

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-2023288015-A1 M6PR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. (US) 2023-01-19 — — WO disclosed
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