SCHEMBL7798306

SCHEMBL7798306

COc1cncnc1N1CCN(CCCn2ccc3ccc(-n4cnnc4)cc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.37
DRD3 P35462 3/20 0.37
DRD4 P21917 2/20 0.37
HTR7 P34969 1/20 0.37
ABCB1 P08183 1/20 0.36
TLR7 Q9NYK1 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
P2RX7 Q99572 1/20 0.35
HTR1A P08908 1/20 0.35
AURKA O14965 2/20 0.34
SLC2A1 P11166 1/20 0.34

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 SCHEMBL8035086 0.99 DRD2 (0.36) DRD2DRD3DRD4HTR7ABCB1
SCHEMBL7803871 0.93 ABCB1 (0.38) DRD2DRD3DRD4ABCB1TLR7
Hydrochloric Acid SCHEMBL8035161 0.92 ABCB1 (0.38) DRD2DRD3DRD4HTR7ABCB1
SCHEMBL7804108 0.86 HTR7 (0.36) DRD2DRD3DRD4HTR7ABCB1
SCHEMBL7804107 0.86 HTR1A (0.36) DRD2DRD3DRD4HTR7MEN1
SCHEMBL7806996 0.85 HTR1A (0.39) DRD2DRD3DRD4HTR7ABCB1
Hydrochloric Acid SCHEMBL8033403 0.85 HTR7 (0.36) DRD2DRD3DRD4HTR7ABCB1
SCHEMBL7807051 0.84 MAPT (0.36) DRD2DRD3TLR7MEN1CYP1A2
Hydrochloric Acid SCHEMBL8030756 0.84 MAPT (0.36) DRD2HTR7TLR7MEN1CYP1A2
SCHEMBL6999464 0.83 HTR7 (0.41) DRD2DRD3DRD4HTR7MEN1

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 7 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 claimed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US claimed
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 claimed
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