SCHEMBL7808759

SCHEMBL7808759

Nc1ccc2ccn(CCCN3CCC(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
CCR3 P51677 2/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
PRMT3 O60678 1/20 0.51
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
PRMT1 Q99873 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
KCNH2 Q12809 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48

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
SCHEMBL7808717 0.84 SIGMAR1 (0.61) SIGMAR1
SCHEMBL7808734 0.82 MEN1 (0.56) SIGMAR1CCR3SLC6A2SLC6A4GRIN2A
SCHEMBL7807144 0.82 HTR1D (0.56) SIGMAR1CCR3SLC6A2SLC6A4KCNH2
SCHEMBL7798113 0.81 SLC6A2 (0.47) SIGMAR1CCR3SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL8033570 0.81 HTR1D (0.55) SIGMAR1CCR3SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL8021851 0.81 SLC6A2 (0.46) SIGMAR1CCR3SLC6A2SLC6A4KCNH2
SCHEMBL3351880 0.77 HTR7 (0.55) SIGMAR1
SCHEMBL7804160 0.76 HTR1D (0.56) SIGMAR1CCR3SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL8032981 0.75 HTR1D (0.55) SIGMAR1CCR3SLC6A2SLC6A4KCNH2
SCHEMBL1122491 0.74 NOS1 (0.52) SIGMAR1

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 4 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
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US disclosed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US 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