SCHEMBL7329410

SCHEMBL7329410

CN(CCCc1c[nH]c2ccccc12)C1CCc2c(N)cccc2C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.50
MC4R P32245 4/20 0.49
MC5R P33032 3/20 0.46
MC3R P41968 2/20 0.46
BCHE P06276 6/20 0.46
ACHE P22303 1/20 0.46
HTR1A P08908 4/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 2/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 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
SCHEMBL7324350 0.97 MC4R (0.48) SLC6A4MC4RMC5RMC3RBCHE
SCHEMBL7332178 0.96 MC4R (0.47) SLC6A4MC4RMC5RMC3RBCHE
SCHEMBL7327297 0.94 BCHE (0.48) SLC6A4MC4RMC5RMC3RBCHE
SCHEMBL7330079 0.89 MC4R (0.47) SLC6A4MC4RMC5RMC3RBCHE
SCHEMBL7327911 0.88 ALDH1A1 (0.58) SLC6A4MC4RMC5RMC3RBCHE
SCHEMBL7325675 0.86 MC4R (0.47) SLC6A4MC4RMC5RMC3RHTR1A
SCHEMBL7333675 0.85 DRD2 (0.47) MC4RMC5RMC3RDRD2DRD3
SCHEMBL7336174 0.84 HTR1A (0.47) MC4RMC5RMC3RBCHEHTR1A
SCHEMBL7332251 0.80 ALDH1A1 (0.45) MC4RMC5RMC3RBCHEACHE
SCHEMBL7327607 0.80 GRIN2B (0.54) LMNADRD2DRD3

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