SCHEMBL8079322

SCHEMBL8079322

CC1CC(CC2CCC(N)C(C)C2)CCC1N.Nc1ccc(CC2CCC(N)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MC4R P32245 2/20 0.32
MC5R P33032 2/20 0.32
MC3R P41968 2/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL40077 0.82 MEN1 (0.44) MEN1KMT2AHTR6ALDH1A1GFER
Ammonia Solution, Strong SCHEMBL14343979 0.80 MEN1 (0.43) MEN1KMT2AHTR6ALDH1A1GFER
SCHEMBL22866453 0.78 MC4R (0.30) MC4RMC5RMC3R
SCHEMBL3274406 0.78 MC4R (0.30) MC4RMC5RMC3R
SCHEMBL432924 0.78 MC4R (0.30) MC4RMC5RMC3R
SCHEMBL14344293 0.77 HTR6 (0.33) MEN1KMT2AHTR6
SCHEMBL40071 0.77 HTR6 (0.33) MEN1KMT2AHTR6
SCHEMBL14407436 0.77 CYP3A4 (0.52) MEN1KMT2AHTR6ALDH1A1GFER
Acetone SCHEMBL27792366 0.76 MEN1 (0.41) MEN1KMT2AHTR6
SCHEMBL25475320 0.74 MC4R (0.32) MC4RMC5RMC3R

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-0659833-B1 Compositions based on epoxy resins, impact modifiers and amines CIBA SC HOLDING AG (CH) 2000-08-16 EP claimed
EP-0659833-A1 Compositions based on epoxy resins, impact modifiers and amines CIBA-GEIGY AG (CH) 1995-06-28 EP claimed