SCHEMBL7502185

SCHEMBL7502185

O=S(=O)(c1ccc2ccccc2c1)n1c(C2=CCN3CCCC3C2)cc2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.44
KDM2B Q8NHM5 1/20 0.39
HSD11B1 P28845 1/20 0.38
LMNA P02545 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
AKR1C3 P42330 2/20 0.37
ATM Q13315 1/20 0.37
MCOLN3 Q8TDD5 3/20 0.36
TSHR P16473 1/20 0.36
CYP11B1 P15538 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL2064466 0.81 HTR6 (0.47) HTR6KDM2BHSD11B1
SCHEMBL7496870 0.78 HTR6 (0.57) HTR6LMNAKDM4ESMN1; SMN2HCRTR1
SCHEMBL7493087 0.78 KDM2B (0.45) HTR6KDM2BLMNAKDM4ESMN1; SMN2
SCHEMBL2064873 0.71 HTR6 (0.47) HTR6KDM2BHSD11B1KDM4EALDH1A1
SCHEMBL7005955 0.70 HTR6 (0.49) HTR6
SCHEMBL7005953 0.70 HTR6 (0.49) HTR6
SCHEMBL2065517 0.69 HTR6 (0.46) HTR6
SCHEMBL7499298 0.69 HTR6 (0.47) HTR6ALDH1A1PKM
SCHEMBL2064304 0.68 HTR6 (0.59) HTR6
SCHEMBL7496649 0.67 HTR6 (0.41) HTR6KDM2BKDM4ESMN1; SMN2ALDH1A1

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
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO disclosed