SCHEMBL7803871

SCHEMBL7803871

COc1cncnc1N1CCN(CCCn2ccc3cc(-n4cnnc4)ccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
DRD2 P14416 4/20 0.37
DRD3 P35462 3/20 0.37
DRD4 P21917 2/20 0.37
TLR7 Q9NYK1 4/20 0.36
TLR9 Q9NR96 2/20 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
HTR2A P28223 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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 SCHEMBL8035161 0.99 ABCB1 (0.38) ABCB1DRD2DRD3DRD4TLR7
SCHEMBL7798306 0.93 DRD2 (0.37) ABCB1DRD2DRD3DRD4TLR7
Hydrochloric Acid SCHEMBL8035086 0.92 DRD2 (0.36) ABCB1DRD2DRD3DRD4TLR7
SCHEMBL7804151 0.86 MCHR1 (0.40) DRD2DRD4MEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8031232 0.85 MCHR1 (0.39) DRD2DRD4MEN1CYP1A2CYP3A4
SCHEMBL7807051 0.83 MAPT (0.36) DRD2DRD3TLR7TLR9MEN1
SCHEMBL7804107 0.82 HTR1A (0.36) DRD2DRD3DRD4MEN1CYP1A2
Hydrochloric Acid SCHEMBL8030756 0.82 MAPT (0.36) DRD2TLR7TLR9MEN1CYP1A2
SCHEMBL7798352 0.81 HTR1A (0.42) DRD2DRD3MEN1CYP1A2CYP3A4
SCHEMBL7804108 0.81 HTR7 (0.36) ABCB1DRD2DRD3DRD4TLR7

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