SCHEMBL8618345

SCHEMBL8618345

CN1CCC(Cc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.62
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
POLB P06746 1/20 0.43
HTR2C P28335 9/20 0.41
HTR2A P28223 8/20 0.41
SLC2A1 P11166 1/20 0.40
MAPT P10636 3/20 0.39
HTR2B P41595 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
USP2 O75604 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
ROCK2 O75116 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
SCHEMBL8128883 0.87 HTR1A (0.64) HTR1AHTR1DHTR1BPOLBHTR2C
SCHEMBL8618094 0.85 HTR1A (0.62) HTR1AHTR1DHTR1BPOLBHTR2C
SCHEMBL8658481 0.84 HTR1A (0.55) HTR1AHTR1DHTR1BPOLBHTR2C
SCHEMBL8127323 0.84 HTR1A (0.81) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8613994 0.83 HTR1A (0.57) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8128007 0.80 HTR1A (0.79) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8122308 0.79 HTR1A (0.73) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8137992 0.79 HTR1A (0.72) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8119474 0.78 HTR1A (0.82) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8614116 0.77 HTR1D (0.57) HTR1AHTR1DHTR1BHTR2CHTR2A

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
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed