SCHEMBL11575007

SCHEMBL11575007

CC(C)(CC#N)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
CHRNA4 P43681 1/20 0.52
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
PYCR1 P32322 1/20 0.37

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
SCHEMBL28848601 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL6825275 0.76 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2823833 0.76 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL13815321 0.75 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2556572 0.74 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2554590 0.74 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11577478 0.73 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL73498 0.72 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL4835685 0.72 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11613511 0.71 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AHRH1

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
US-4177291-A Compounds having antidepressive activity ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1979-12-04 US disclosed