SCHEMBL7328589

SCHEMBL7328589

CN(c1c[nH]c2ccccc12)C1CCc2c(N)cccc2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.43
HTR7 P34969 11/20 0.43
SLC6A4 P31645 1/20 0.40
MC4R P32245 4/20 0.39
MC5R P33032 4/20 0.39
MC3R P41968 3/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7327911 0.81 ALDH1A1 (0.58) HTR1AHTR7SLC6A4MC4RMC5R
SCHEMBL7327297 0.80 BCHE (0.48) HTR1AHTR7SLC6A4MC4RMC5R
SCHEMBL7329410 0.78 SLC6A4 (0.50) HTR1AHTR7SLC6A4MC4RMC5R
SCHEMBL7332251 0.78 ALDH1A1 (0.45) HTR1AHTR7MC4RMC5RMC3R
SCHEMBL7324350 0.77 MC4R (0.48) HTR1AHTR7SLC6A4MC4RMC5R
SCHEMBL7332178 0.77 MC4R (0.47) HTR1AHTR7SLC6A4MC4RMC5R
SCHEMBL7336174 0.76 HTR1A (0.47) HTR1AHTR7MC4RMC5RMC3R
SCHEMBL28792045 0.76 ALDH1A1 (0.49) HTR1ASLC6A4
SCHEMBL7328242 0.75 HTR7 (0.43) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL7330079 0.74 MC4R (0.47) SLC6A4MC4RMC5RMC3RDRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402923-A2 2,5-Diaminotetralines, process for their preparation and their use as medicine BOEHRINGER INGELHEIM KG (DE) 1990-12-19 EP disclosed