SCHEMBL7806993

SCHEMBL7806993

c1ccc(CCN2CCN(CCCn3ccc4cc(-n5cnnc5)ccc43)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.54
HTR1B P28222 10/20 0.54
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
P2RX7 Q99572 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1F P30939 1/20 0.43

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 SCHEMBL8033577 0.99 HTR1D (0.53) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL7804093 0.91 HTR1D (0.54) HTR1DHTR1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8021793 0.90 HTR1D (0.53) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL7804160 0.85 HTR1D (0.56) HTR1DHTR1BSIGMAR1
Hydrochloric Acid SCHEMBL8032981 0.85 HTR1D (0.55) HTR1DHTR1BSIGMAR1
SCHEMBL7805968 0.82 HTR1D (0.53) HTR1DHTR1BP2RX7SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL8021891 0.81 HTR1D (0.52) HTR1DHTR1BP2RX7SIGMAR1HTR2A
SCHEMBL7806971 0.79 DRD3 (0.60) HTR1DHTR1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8031131 0.78 DRD3 (0.59) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL7805932 0.78 HTR1D (0.54) HTR1DHTR1BSIGMAR1HTR2AHTR2C

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