SCHEMBL9536175

SCHEMBL9536175

O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2cccs2)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
CCR3 P51677 1/20 0.47
SLC6A9 P48067 1/20 0.47
PYGM P11217 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM4 P08173 1/20 0.43
PLD2 O14939 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL10549281 0.89 SLC6A9 (0.43) SLC6A2SLC6A4SLC6A9PYGMMAPT
SCHEMBL9537428 0.86 SLC6A9 (0.46) SLC6A2SLC6A4SLC6A9PYGMMAPT
SCHEMBL9535185 0.85 MAPT (0.49) SLC6A2SLC6A4CCR3PYGMMAPT
SCHEMBL9536186 0.84 MAPT (0.56) SLC6A2SLC6A4CCR3MAPTCHRM4
SCHEMBL9537145 0.82 SLC6A9 (0.53) SLC6A9MAPTMEN1KMT2A
SCHEMBL9539084 0.81 MEN1 (0.52) CCR3SLC6A9MAPTALDH1A1MEN1
Oxalic Acid SCHEMBL9540591 0.80 ALDH1A1 (0.53) SLC6A2SLC6A4CCR3ALDH1A1NPC1
Oxalic Acid SCHEMBL9540585 0.80 ALDH1A1 (0.53) SLC6A2SLC6A4CCR3ALDH1A1NPC1
SCHEMBL9535122 0.80 SLC6A9 (0.65) SLC6A2SLC6A4SLC6A9MAPTALDH1A1
SCHEMBL9536165 0.79 CCR3 (0.56) SLC6A2SLC6A4CCR3MAPTALDH1A1

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed