SCHEMBL7936073

SCHEMBL7936073

O=C(NN(C1CCC1)C1CCC1)c1ccc(F)c2c1CCCO2.[H+]

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.45
SLC6A4 P31645 12/20 0.35
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6309751 0.99 HTR1A (0.46) HTR1ASLC6A4RAB9AHPGDALDH1A1
Cadaverine Tartrate SCHEMBL6245775 0.92 HTR1A (0.41) HTR1ASLC6A4RAB9AHPGD
SCHEMBL7932463 0.80 HTR1A (0.71) HTR1ASLC6A4
SCHEMBL27640871 0.73 HTR1A (0.54) HTR1ASLC6A4RAB9A
SCHEMBL8718022 0.71 HDAC3 (0.43) HTR1ASLC6A4HPGD
SCHEMBL8242266 0.67 ACHE (0.38) HTR1ASLC6A4
SCHEMBL21189313 0.64 MAOB (0.49) RAB9AHPGDALDH1A1
SCHEMBL21189388 0.63 NPC1 (0.44) RAB9AHPGDALDH1A1
SCHEMBL7616883 0.62 HTR1A (0.80) HTR1ASLC6A4
SCHEMBL7616889 0.62 HTR1A (0.80) HTR1ASLC6A4

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-6184218-B1 Composition and methods employing it for the treatment of 5-HT-mediated disorders ASTRA AKTIEBOLAG (SE) 2001-02-06 US disclosed