SCHEMBL7141435

SCHEMBL7141435

CCc1nn2c(N3CCNCC3)cc(C)nc2c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.51
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7133537 0.90 HTR6 (0.57) HTR6KMT2AALDH1A1GAAHPGD
SCHEMBL7136966 0.89 HTR6 (0.51) HTR6KMT2AALDH1A1GAAHPGD
SCHEMBL7133686 0.89 HTR6 (0.63) HTR6SMN1; SMN2HSD17B10
SCHEMBL7139010 0.87 HTR6 (0.69) HTR6
SCHEMBL7133635 0.86 HTR6 (0.50) HTR6KMT2AALDH1A1HPGDCYP3A4
SCHEMBL7133638 0.86 HTR6 (0.50) HTR6KMT2AALDH1A1HPGDCYP3A4
SCHEMBL7140048 0.80 HTR6 (0.58) HTR6ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL7136436 0.80 HTR6 (0.58) HTR6KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL7138522 0.78 HTR6 (0.72) HTR6KMT2AGAASMN1; SMN2HSD17B10
SCHEMBL7904075 0.77 HTR6 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941994-B1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6194410-B1 ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS HOFFMAN-LA ROCHE INC. 2001-02-27 US disclosed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed