SCHEMBL7276880

SCHEMBL7276880

CN1C2CCCC1CC(N1C(=O)c3cccc4cccc(c34)C1=O)C2

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.51
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1B1 Q16678 1/20 0.43
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL7276878 1.00 HTR3A (0.51) HTR3ACHRNB4CHRNA3HTR2BTMEM97
SCHEMBL7279088 1.00 HTR3A (0.51) HTR3ACHRNB4CHRNA3HTR2BTMEM97
SCHEMBL7272100 0.94 ALDH1A1 (0.45) HTR3ACHRNB4CHRNA3KDM4EALDH1A1
SCHEMBL7281339 0.94 ALDH1A1 (0.45) HTR3ACHRNB4CHRNA3KDM4EALDH1A1
SCHEMBL7272095 0.94 ALDH1A1 (0.45) HTR3ACHRNB4CHRNA3KDM4EALDH1A1
SCHEMBL9586602 0.82 USP2 (0.57) HTR3ACHRNB4CHRNA3HTR2BTMEM97
SCHEMBL9585727 0.82 USP2 (0.57) HTR3ACHRNB4CHRNA3HTR2BTMEM97
SCHEMBL9585724 0.82 USP2 (0.57) HTR3ACHRNB4CHRNA3HTR2BTMEM97
SCHEMBL13016514 0.81 CHRNB4 (0.44) HTR3ACHRNB4CHRNA3
SCHEMBL9586980 0.80 MEN1 (0.59) HTR3ACHRNB4CHRNA3HTR2BTMEM97

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202318-A Antiserotonine, antiemetic agents SYNTEX (U.S.A.) INC. (US) 1993-04-13 US disclosed
EP-0457243-A1 Novel tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1991-11-21 EP disclosed