SCHEMBL23655342

SCHEMBL23655342

O=CNCc1ccc(N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.61
ADH1C P00326 1/20 0.61
ADH1A P07327 1/20 0.61
ADH7 P40394 1/20 0.61
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
DRD4 P21917 1/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL5987431 0.90 DRD4 (0.64) ADH1BADH1CADH1AADH7HTR2A
SCHEMBL23655331 0.85 MAPT (0.53) ADH1BADH1CADH1AADH7MEN1
SCHEMBL23655583 0.85 ADH1B (0.46) ADH1BADH1CADH1AADH7MEN1
SCHEMBL23655787 0.85 L3MBTL1 (0.53) ADH1BADH1CADH1AADH7MEN1
SCHEMBL3305094 0.85 ALDH1A1 (0.53) ADH1BADH1CADH1AADH7MEN1
SCHEMBL23655354 0.84 ADH1B (0.50) ADH1BADH1CADH1AADH7MEN1
SCHEMBL23655773 0.84 HTR1A (0.49) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL3304463 0.83 L3MBTL1 (0.54) ADH1BADH1CADH1AADH7MEN1
SCHEMBL24677480 0.82 ADRB1 (0.47) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL23655815 0.82 ADH1B (0.47) ADH1BADH1CADH1AADH7L3MBTL1

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-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed