SCHEMBL7808775

SCHEMBL7808775

c1ccc(CCN2CCN(CCCn3ccc4ccc(Cn5cnnc5)cc43)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.44
SIGMAR1 Q99720 5/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
HTR7 P34969 1/20 0.41
NOS2 P35228 1/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
HTR2B P41595 1/20 0.41

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 SCHEMBL8035076 0.99 P2RX7 (0.44) P2RX7SIGMAR1DRD2DRD4DRD3
SCHEMBL7798113 0.86 SLC6A2 (0.47) SIGMAR1
Hydrochloric Acid SCHEMBL8021851 0.85 SLC6A2 (0.46) SIGMAR1
SCHEMBL7804093 0.84 HTR1D (0.54) P2RX7SIGMAR1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8021793 0.83 HTR1D (0.53) P2RX7SIGMAR1DRD2DRD4DRD3
SCHEMBL7804946 0.82 P2RX7 (0.44) P2RX7SIGMAR1CASP1CASP4CASP5
Hydrochloric Acid SCHEMBL8031207 0.81 P2RX7 (0.43) P2RX7SIGMAR1CASP1CASP4CASP5
SCHEMBL7808717 0.80 SIGMAR1 (0.61) P2RX7SIGMAR1DRD2DRD4DRD3
SCHEMBL7806993 0.77 HTR1D (0.54) P2RX7SIGMAR1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8033577 0.77 HTR1D (0.53) P2RX7SIGMAR1DRD2DRD4DRD3

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