SCHEMBL8913853

SCHEMBL8913853

O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
MAPT P10636 6/20 0.71
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
LMNA P02545 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
HTT P42858 1/20 0.63
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.57
HTR1A P08908 3/20 0.55
HTR2A P28223 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
GPR84 Q9NQS5 1/20 0.52
HPGD P15428 1/20 0.51
CSNK2A1 P68400 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL10752984 0.93 MAPT (0.74) GAAMAPTMEN1KMT2ANPC1
SCHEMBL2535334 0.85 GAA (0.73) GAAMAPTMEN1KMT2ANPC1
SCHEMBL650217 0.85 MAPT (0.86) GAAMAPTMEN1KMT2ANPC1
SCHEMBL2531516 0.85 GAA (1.00) GAAMAPTMEN1KMT2ANPC1
SCHEMBL735125 0.84 MAPT (1.00) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10554348 0.82 GAA (0.70) GAAMAPTMEN1KMT2ANPC1
SCHEMBL9828298 0.81 GAA (0.69) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10773888 0.81 GAA (0.69) GAAMAPTMEN1KMT2ANPC1
SCHEMBL11350274 0.81 NPC1 (0.79) GAAMAPTMEN1KMT2ANPC1
SCHEMBL8229566 0.81 MAPT (0.87) GAAMAPTMEN1KMT2ANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607960-A Indole derivatives as 5-HT1-like agonists for use in migraine PFIZER INC. (US) 1997-03-04 US disclosed
EP-0695301-B1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-10-30 EP disclosed
CN-1121348-A Indole derivatives as 5-H1-like agonists for use in migraine PFIZER RES & DEV (IE) 1996-04-24 CN disclosed
EP-0695301-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-02-07 EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed
US-4252803-A HYPOTENSIVE AGENTS, ANALGESICS GLAXO GROUP LIMITED (GB) 1981-02-24 US disclosed