SCHEMBL5595002

SCHEMBL5595002

CCCC(Cc1ccccc1)c1[c]nccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SIGMAR1 Q99720 7/20 0.35
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
MAOA P21397 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CSNK1E P49674 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL3548162 0.72 TP53 (0.32)
SCHEMBL10435320 0.71 SLC6A2 (0.58) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL8100227 0.71 ESR1 (0.61) ESR1ESR2SIGMAR1SLC6A2SLC6A4
SCHEMBL2011912 0.67 MAPK1 (0.36) CYP3A4CSNK1EALDH1A1
SCHEMBL18043744 0.65 SLC6A4 (0.32) SLC6A4
SCHEMBL2067545 0.65 LMNA (0.41)
SCHEMBL28163887 0.65 ESR1 (0.53) ESR1ESR2SIGMAR1SLC6A2SLC6A4
SCHEMBL22721261 0.65 ESR1 (0.49) ESR1ESR2SIGMAR1SLC6A2SLC6A4
SCHEMBL9543263 0.65 SIGMAR1 (0.48) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL1047441 0.65 SIGMAR1 (0.48) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1

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-1441724-B1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS (AN) 2007-09-05 EP disclosed