SCHEMBL29092883

SCHEMBL29092883

Cc1cn(Cc2ccccc2)c2ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.53
▸ PTGDR2 Q9Y5Y4 4/20 0.49
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HK1 P19367 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ PTGS2 P35354 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ ICMT O60725 1/20 0.46
▸ CACNB4 O00305 2/20 0.46
▸ CACNA1A O00555 2/20 0.46
▸ CACNA1G O43497 2/20 0.46
▸ CACNG3 O60359 2/20 0.46
▸ CACNA1F O60840 2/20 0.46
▸ CACNA1H O95180 2/20 0.46
▸ CACNB3 P54284 2/20 0.46
▸ CACNA2D1 P54289 2/20 0.46
▸ CACNG7 P62955 2/20 0.46
▸ CACNA1B Q00975 2/20 0.46
▸ CACNA1D Q01668 2/20 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
SCHEMBL20787970 0.83 PTGDR2 (0.47) HTR6PTGDR2HTTCACNB4CACNA1A
SCHEMBL5514366 0.82 PTGER3 (0.44) MAPTPOLBCACNB4CACNA1ACACNA1G
SCHEMBL20787968 0.82 HDAC1 (0.48) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL21295511 0.82 PLA2G2A (0.48) HTR6ICMTCACNB4CACNA1ACACNA1G
SCHEMBL12225809 0.81 POLB (0.63) HTTMAPTPTGS2POLBALDH1A1
SCHEMBL18508845 0.81 ALDH1A1 (0.65) HTTMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL9584802 0.81 ICMT (0.54) HTR6HTTPTGS2POLBICMT
SCHEMBL7390217 0.80 HDAC1 (0.62) HTR6PTGS2POLBALDH1A1SMN1; SMN2
SCHEMBL25322499 0.79 PTGS2 (0.54) HTR6PTGDR2HTTMAPTPTGS2
SCHEMBL16494825 0.79 HTR6 (0.64) HTR6ALDH1A1LMNAKMT2ATHRA

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
CN-116924964-A Preparation method of tetrahydrocarbazole ring compound 四川轻化工大学 2023-10-24 — — CN claimed
CN-116924964-A Preparation method of tetrahydrocarbazole ring compound 四川轻化工大学 2023-10-24 — — CN disclosed
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