SCHEMBL11264459

SCHEMBL11264459

CC(Cc1ccccc1N)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.49
HTR2A P28223 3/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 2/20 0.40
SIGMAR1 Q99720 1/20 0.37
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL270111 0.79 GABRA1 (0.52) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL15702021 0.78 P4HB (0.50) P4HBHTR2AHTR2CHTR2BSLC6A4
SCHEMBL13020024 0.78 P4HB (0.50) P4HBHTR2AHTR2CHTR2BSLC6A4
SCHEMBL1724429 0.77 SLC6A2 (0.52) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL15701863 0.76 P4HB (0.49) P4HBHTR2AHTR2CHTR2BSLC6A4
SCHEMBL8411705 0.76 P4HB (0.66) P4HBHTR2AHTR2CHTR2BMAOB
SCHEMBL11135844 0.76 TAAR1 (0.50) P4HBHTR2AHTR2CHTR2BSLC6A4
SCHEMBL16197829 0.75 FDPS (0.39) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4931748 0.75 FDPS (0.39) SLC6A4SLC6A2SLC6A3KCNH2
Bromide SCHEMBL6322805 0.74 TAAR1 (0.48) P4HBHTR2AHTR2CHTR2BSLC6A4

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-4333930-A TREATMENT OF CENTRAL NERVOUS DISORDERS, ANALGESICS, ANTIDEPRESSANTS LABORATOIRES SARGET (FR) 1982-06-08 US disclosed