SCHEMBL16335746

SCHEMBL16335746

CC(C)CN(CCCN1CCN(CCCn2c3c(c4cc(F)ccc42)CN(CCC(=O)O)CC3)CC1)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.46
▸ BAZ2B Q9UIF8 1/20 0.43
▸ HTR6 P50406 3/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ PTGER2 P43116 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL16373176 0.85 AKR1B10 (0.47) GRIN2BHTR6HRH1PTGDR2PTGER2
SCHEMBL16373178 0.76 AKR1B10 (0.49) GRIN2BBAZ2BHTR6HRH1PTGDR2
SCHEMBL4125506 0.75 HTR6 (0.54) GRIN2BBAZ2BHTR6HRH1PTGDR2
SCHEMBL14067856 0.75 HTR6 (0.69) GRIN2BBAZ2BHTR6HRH1PTGDR2
SCHEMBL16373179 0.74 AKR1B10 (0.61) HTR6HRH1PTGDR2
SCHEMBL17782078 0.74 SIGMAR1 (0.58) GRIN2B
SCHEMBL16373181 0.74 MAOA (0.63) HTR6HRH1BCHE
SCHEMBL16373180 0.72 AKR1B10 (0.44) HTR6HRH1PTGDR2PTGER2PTGDR
SCHEMBL14067656 0.70 PTGDR2 (0.55) GRIN2BBAZ2BPTGDR2PTGER2PTGDR
SCHEMBL4137410 0.68 HRH1 (0.58) HTR6HRH1PTGDR2

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-2014207241-A1 NEW Na-SUBSTITUTED CARBOLINE COMPOUNDS USABLE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ALZPROTECT (FR) 2014-12-31 — — WO disclosed
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