SCHEMBL7780152

SCHEMBL7780152

c1ccc2c(c1)CCCC2NCCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 2/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2C P28335 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7786896 0.83 DRD2 (0.51) HRH3DRD2
SCHEMBL7780082 0.80 ALDH1A1 (0.54) ALDH1A1KDM4E
SCHEMBL18995758 0.79 ALDH1A1 (0.60) ALDH1A1KDM4ETSHR
SCHEMBL18995759 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ETSHR
SCHEMBL62691 0.78 HTT (0.64) ALDH1A1KDM4ETSHR
SCHEMBL19289840 0.78 HTT (0.64) ALDH1A1KDM4ETSHR
SCHEMBL62692 0.78 HTT (0.64) ALDH1A1KDM4ETSHR
SCHEMBL7504819 0.77 HTR2A (0.46) HRH3SIGMAR1
SCHEMBL7495770 0.77 HTR2A (0.46) HRH3SIGMAR1
SCHEMBL7504825 0.77 HTR2A (0.46) HRH3SIGMAR1

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-1140852-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARAMACEUTICAL USE AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000035882-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2000-06-22 WO disclosed