SCHEMBL7804094

SCHEMBL7804094

c1ccc(CCN2CCN(CCCn3ccc4c(-n5cnnc5)cccc43)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.49
BCHE P06276 1/20 0.48
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
SIGMAR1 Q99720 4/20 0.45
P2RX7 Q99572 2/20 0.45
DRD2 P14416 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42

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 SCHEMBL8031680 0.99 HTR6 (0.48) HTR6BCHEHTR1DHTR1BSIGMAR1
SCHEMBL7798285 0.85 SLC6A2 (0.50) HTR1DHTR1BSIGMAR1DRD2CHRM2
Hydrochloric Acid SCHEMBL8021878 0.84 SLC6A2 (0.49) HTR1DHTR1BSIGMAR1DRD2CHRM2
SCHEMBL7806993 0.78 HTR1D (0.54) HTR1DHTR1BSIGMAR1P2RX7DRD2
SCHEMBL7804093 0.78 HTR1D (0.54) HTR1DHTR1BSIGMAR1P2RX7DRD2
Hydrochloric Acid SCHEMBL8021793 0.77 HTR1D (0.53) HTR1DHTR1BSIGMAR1P2RX7DRD2
Hydrochloric Acid SCHEMBL8033577 0.77 HTR1D (0.53) HTR1DHTR1BSIGMAR1P2RX7DRD2
SCHEMBL7798184 0.73 SLC6A2 (0.43) HTR1DHTR1BSIGMAR1P2RX7DRD2
SCHEMBL7808775 0.73 P2RX7 (0.44) SIGMAR1P2RX7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8021881 0.73 SLC6A2 (0.42) HTR1DHTR1BSIGMAR1P2RX7DRD2

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