SCHEMBL7798113

SCHEMBL7798113

c1ccc(CC2CCN(CCCn3ccc4ccc(Cn5cnnc5)cc43)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SIGMAR1 Q99720 2/20 0.46
CCR3 P51677 2/20 0.46
GRIN2B Q13224 2/20 0.45
KCNH2 Q12809 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
GRIN2A Q12879 1/20 0.43
ABCB1 P08183 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
Hydrochloric Acid SCHEMBL8021851 0.99 SLC6A2 (0.46) SLC6A2SLC6A4SIGMAR1CCR3GRIN2B
SCHEMBL7808775 0.86 P2RX7 (0.44) SIGMAR1
SCHEMBL7807144 0.85 HTR1D (0.56) SLC6A2SLC6A4SIGMAR1CCR3GRIN2B
Hydrochloric Acid SCHEMBL8035076 0.85 P2RX7 (0.44) SIGMAR1
Hydrochloric Acid SCHEMBL8033570 0.84 HTR1D (0.55) SLC6A2SLC6A4SIGMAR1CCR3KCNH2
SCHEMBL7808759 0.81 SIGMAR1 (0.52) SLC6A2SLC6A4SIGMAR1CCR3GRIN2B
SCHEMBL7804160 0.79 HTR1D (0.56) SLC6A2SLC6A4SIGMAR1CCR3GRIN2B
Hydrochloric Acid SCHEMBL8032981 0.78 HTR1D (0.55) SLC6A2SLC6A4SIGMAR1CCR3KCNH2
SCHEMBL7808734 0.77 MEN1 (0.56) SLC6A2SLC6A4SIGMAR1CCR3GRIN2B
SCHEMBL7798285 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SIGMAR1CCR3GRIN2B

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-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed