SCHEMBL22703062

SCHEMBL22703062

CC1CC1c1ccc(CCN(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.53
▸ TAAR1 Q96RJ0 6/20 0.50
▸ ACHE P22303 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL18900047 0.81 HRH3 (0.50) HRH3TAAR1ACHE
SCHEMBL18762839 0.77 HRH3 (0.84) HRH3TAAR1CHRNA7KCNH2
SCHEMBL19968180 0.74 KDM1A (0.47) TAAR1ACHE
SCHEMBL24365618 0.69 HRH3 (0.43) HRH3TAAR1CHRNA7
SCHEMBL24364832 0.69 HRH3 (0.43) HRH3TAAR1CHRNA7
SCHEMBL3057063 0.69 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2
SCHEMBL1975214 0.69 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2
SCHEMBL3059072 0.69 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2
SCHEMBL3046909 0.69 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2
SCHEMBL30551760 0.67 HRH3 (0.41) HRH3TAAR1

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-2020233138-A1 USE OF HORDENINE IN PREPARING DRUG FOR TREATING HYPOPHYSOMA WANG XIONG (CN) 2020-11-26 — — WO disclosed
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