SCHEMBL4266397

SCHEMBL4266397

C[N+]1(C)CCOc2ccc3[nH]ccc3c2C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.34
HTR1B P28222 8/20 0.34
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 4/20 0.30
HTR2C P28335 4/20 0.30
HTR2B P41595 4/20 0.30
HTR1A P08908 3/20 0.30
HTR6 P50406 2/20 0.30
HTR4 Q13639 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL1978270 0.77 MEN1 (0.41) HTR1DHTR1BCREBBPMEN1KMT2A
SCHEMBL6092206 0.74 HTR1D (0.47) HTR1DHTR1BMEN1KMT2AHTR2A
SCHEMBL3900178 0.68 ADRA2A (0.39) CREBBPHTR1AADRA2AADRA2C
SCHEMBL2043007 0.68 OXTR (0.38) HTR1DHTR1BHTR6
SCHEMBL2002050 0.65 CREBBP (0.46) HTR1DCREBBP
SCHEMBL6109246 0.65 HTR1D (0.38) HTR1DHTR1BHTR1A
SCHEMBL32669418 0.63 TTBK1 (0.40) HTR1DHTR1BMEN1KMT2AHTR2A
SCHEMBL2398840 0.60 AHR (0.52) HTR1DHTR1BHTR6
SCHEMBL19776163 0.60 MEN1 (0.42) MEN1KMT2A
SCHEMBL11437391 0.59 AHR (0.39) HTR1DHTR1BHTR6

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-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO disclosed