SCHEMBL31152575

SCHEMBL31152575

COc1cccc(CC2CCNCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.70
SLC6A4 P31645 4/20 0.58
HTR1A P08908 1/20 0.58
GBA1 P04062 1/20 0.57
HTR2C P28335 2/20 0.56
ACP1 P24666 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 1/20 0.48
HTR1B P28222 1/20 0.47
ADRB1 P08588 1/20 0.46

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
SCHEMBL3966127 1.00 EED (0.70) EEDSLC6A4HTR1AGBA1HTR2C
Hydrochloric Acid SCHEMBL29463792 0.98 EED (0.68) EEDSLC6A4HTR1AGBA1HTR2C
Hydrochloric Acid SCHEMBL18280041 0.98 EED (0.68) EEDSLC6A4HTR1AGBA1HTR2C
SCHEMBL27730804 0.89 EED (0.66) EEDSLC6A4HTR1AALDH1A1
SCHEMBL25698257 0.85 EED (0.71) EEDSLC6A4HTR1AALDH1A1
SCHEMBL4575099 0.85 EED (0.56) EEDHTR2C
SCHEMBL13681485 0.83 EED (0.59) EEDSLC6A4HTR1AALDH1A1
SCHEMBL3164096 0.82 EED (1.00) EEDSLC6A4HTR1AHTR2CACP1
SCHEMBL11540047 0.82 EED (0.53) EEDHTR2C
Hydrochloric Acid SCHEMBL18280198 0.82 TDP1 (0.54) EEDSLC6A4HTR1AGBA1HTR2C

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
CN-118930514-A Benzodioxole compound and medical application thereof 中国人民解放军军事科学院军事医学研究院 2024-11-12 CN disclosed