SCHEMBL8133153

SCHEMBL8133153

Brc1ccc2[nH]cc(CC3CCN(Cc4ccccc4)C3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.63
ACHE P22303 4/20 0.63
SIGMAR1 Q99720 2/20 0.63
HTR1A P08908 3/20 0.56
SLC6A4 P31645 1/20 0.55
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
SOS1 Q07889 1/20 0.46

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
SCHEMBL8127891 0.88 OPRM1 (0.64) BCHEACHESIGMAR1HTR1ASLC6A4
SCHEMBL8124362 0.87 SLC6A4 (0.56) HTR1ASLC6A4
SCHEMBL8120129 0.87 HTR1A (0.56) BCHEACHESIGMAR1HTR1AOPRM1
SCHEMBL8130150 0.86 HTR1D (0.49) BCHEACHESIGMAR1HTR1AOPRM1
SCHEMBL8131987 0.84 SIGMAR1 (0.65) BCHEACHESIGMAR1HTR1ASLC6A4
SCHEMBL6214011 0.84 SLC6A4 (0.61) ACHEHTR1ASLC6A4
SCHEMBL8129624 0.82 GAA (0.55) BCHEACHESIGMAR1HTR1ASLC6A4
SCHEMBL8917214 0.82 OPRM1 (0.68) BCHEACHESIGMAR1SLC6A4OPRM1
SCHEMBL8126815 0.80 HTR6 (0.52) BCHEACHEHTR1AHTR1DHTR1B
SCHEMBL8133273 0.80 SLC6A4 (0.64) HTR1ASLC6A4HTR1DHTR1BGPR84

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-0610134-B1 Indole derivatives as 5-HT1-like agonists ADIR (FR) 2000-04-05 EP disclosed
US-5348968-A Migraines ADIR ET COMPAGNIE (FR) 1994-09-20 US disclosed
EP-0610134-A1 Indole, indazole and benzisoxazole derivatives as 5-HT1-like agonists ADIR ET COMPAGNIE (FR) 1994-08-10 EP disclosed