SCHEMBL7357652

SCHEMBL7357652

OC(CCN1CCCC1)c1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
FPR3 P25089 3/20 0.38
FPR2 P25090 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
RAD52 P43351 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL7349078 0.87 HTR1A (0.35) LMNAFPR3FPR2HTR1AL3MBTL1
SCHEMBL7350207 0.85 SIGMAR1 (0.34) LMNAFPR3FPR2HTR1A
SCHEMBL7352557 0.83 HTR1A (0.36) HTR1A
SCHEMBL7352340 0.80 HTR1A (0.42) NPSR1LMNAHTR1A
SCHEMBL7352123 0.78 ALDH1A1 (0.50)
SCHEMBL7346953 0.77 ADRB2 (0.42) NPSR1RAD52L3MBTL1
SCHEMBL11899944 0.75 PDE2A (0.45) FPR2
SCHEMBL7345110 0.75
SCHEMBL16595615 0.74 HTR1A (0.41) HTR1AL3MBTL1
SCHEMBL7348333 0.74 HTR1A (0.42) HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed