SCHEMBL10742640

SCHEMBL10742640

CCCC(N1CCC(c2ccc(F)cc2)CC1)n1c(=O)[nH]c2cc(N)ccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.35
▸ SLC18A2 Q05940 4/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CACNA1G O43497 3/20 0.34
▸ FEN1 P39748 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 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
SCHEMBL10741425 0.86 HTR2A (0.46) SLC18A2HTR2ASLC6A3POLBMAPT
SCHEMBL10742646 0.74 ALDH1A1 (0.48) SLC18A2HTR2ASLC6A3POLBMAPT
SCHEMBL7324114 0.74 DRD2 (0.43) HTR2ASLC6A3MAPT
SCHEMBL10742660 0.70 PDE9A (0.40) PDE9ATLR9TLR8TLR7
SCHEMBL8556573 0.67 SLC18A3 (0.44) HTR2A
SCHEMBL8524117 0.65 PLD2 (0.36) —
SCHEMBL8809958 0.64 SLC18A2 (0.44) SLC18A2HTR2ASLC6A3MAPT
SCHEMBL13246028 0.64 CA12 (0.54) POLBMAPTRXFP1CACNA1GFEN1
SCHEMBL3894977 0.63 HTR2A (0.76) SLC18A2HTR2ASLC6A3MAPTCACNA1G
Hydrochloric Acid SCHEMBL10737791 0.62 HTR2A (0.75) SLC18A2HTR2ASLC6A3MAPTCACNA1G

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-4665075-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-12 — — US claimed
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