SCHEMBL5402012

SCHEMBL5402012

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.71
ABCB1 P08183 4/20 0.59
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53

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
SCHEMBL8983429 0.97 HTR7 (0.72) HTR7ABCB1TMEM97SIGMAR1GRIN1
Hydrochloric Acid SCHEMBL4218491 0.96 HTR7 (0.71) HTR7ABCB1TMEM97SIGMAR1GRIN1
SCHEMBL10035562 0.94 HTR7 (0.63) HTR7ABCB1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL2141212 0.93 HTR7 (0.62) HTR7ABCB1GRIN1GRIN2B
SCHEMBL10035620 0.92 HTR7 (0.61) HTR7ABCB1
Hydrochloric Acid SCHEMBL2137773 0.91 HTR7 (0.60) HTR7ABCB1
SCHEMBL8981592 0.91 HTR7 (0.64) HTR7ABCB1TMEM97SIGMAR1GRIN1
SCHEMBL10035595 0.90 ABCB1 (0.64) HTR7ABCB1
SCHEMBL10035624 0.90 MBTD1 (0.59) HTR7ABCB1TMEM97SIGMAR1
SCHEMBL2138032 0.90 HTR7 (0.57) HTR7ABCB1TMEM97SIGMAR1

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
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US claimed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed