SCHEMBL7997497

SCHEMBL7997497

Cc1ccc(S(=O)(=O)c2cc3ccc([C@@]4(O)CCN5CCC[C@H]5C4)cc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.46
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CCR1 P32246 9/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6426759 0.77 HTR6 (0.68) HTR6KDM4EALDH1A1CCR1
SCHEMBL6740915 0.74 HTR6 (0.48) HTR6KDM4EALDH1A1CCR1MAPT
SCHEMBL6426403 0.74 HTR6 (0.48) HTR6KDM4EALDH1A1CCR1MAPT
SCHEMBL30684143 0.63 CA2 (0.56) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL670176 0.63 CA2 (0.56) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL7006323 0.63 CYP1A2 (0.55) MAPT
SCHEMBL7010984 0.61 SLC6A4 (0.53)
SCHEMBL7006099 0.61 SLC6A4 (0.53)
SCHEMBL7005001 0.61 HTR1A (0.47) HTR6KMT2A
SCHEMBL7006270 0.61 HTR1B (0.58) HTR6

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-2001032660-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR ANTAGONIST ACTIVITY NPS ALLELIX CORP. (US) 2001-05-10 WO disclosed