SCHEMBL7798221

SCHEMBL7798221

c1ccc(CC2CCN(CCCn3ncc4cc(-n5cnnc5)ccc43)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.55
HTR1B P28222 3/20 0.55
GRIN2B Q13224 2/20 0.49
SLC6A2 P23975 10/20 0.49
SLC6A4 P31645 8/20 0.49
SLC6A3 Q01959 3/20 0.48
CCR3 P51677 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 1/20 0.45
F2 P00734 1/20 0.44

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 SCHEMBL8031711 0.99 HTR1D (0.54) HTR1DHTR1BGRIN2BSLC6A2SLC6A4
SCHEMBL7805968 0.86 HTR1D (0.53) HTR1DHTR1BSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8021891 0.85 HTR1D (0.52) HTR1DHTR1BSLC6A2SLC6A4SLC6A3
SCHEMBL7804160 0.83 HTR1D (0.56) HTR1DHTR1BGRIN2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8032981 0.82 HTR1D (0.55) HTR1DHTR1BSLC6A2SLC6A4CCR3
SCHEMBL7798136 0.79 SLC6A2 (0.50) HTR1DHTR1BSLC6A2SLC6A4SLC6A3
SCHEMBL7807144 0.79 HTR1D (0.56) HTR1DHTR1BGRIN2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8033570 0.78 HTR1D (0.55) HTR1DHTR1BSLC6A2SLC6A4CCR3
Hydrochloric Acid SCHEMBL8031601 0.78 SLC6A2 (0.49) HTR1DHTR1BSLC6A2SLC6A4SLC6A3
SCHEMBL7804951 0.78 HTR1D (0.53) HTR1DHTR1BSLC6A2SLC6A4SLC6A3

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