SCHEMBL9199690

SCHEMBL9199690

O=C(CCN1CCOCC1)Cc1cccs1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 4/20 0.51
CYP2C19 P33261 2/20 0.51
GLA P06280 2/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
HPGD P15428 2/20 0.46

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
Hydrochloric Acid SCHEMBL9119984 0.99 ALDH1A1 (0.56) HTTALDH1A1KMT2ALMNAMAPT
SCHEMBL9120369 0.88 KMT2A (0.60) HTTALDH1A1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL9122307 0.87 KMT2A (0.58) HTTALDH1A1KMT2ALMNAMAPT
SCHEMBL9121156 0.87 KMT2A (0.58) HTTALDH1A1KMT2AMAPTGAA
SCHEMBL9207862 0.87 KMT2A (0.58) HTTALDH1A1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL9120318 0.86 KMT2A (0.57) ALDH1A1KMT2ALMNAMAPTGAA
SCHEMBL9766005 0.79 HTR1A (0.50) GAA
SCHEMBL28839873 0.78 ALDH1A1 (0.63) HTTALDH1A1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL8338610 0.77 KMT2A (0.74) ALDH1A1KMT2ALMNAMAPTGLA
SCHEMBL5256238 0.77 HTT (0.69) HTTALDH1A1KMT2ALMNACYP2C19

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-0490769-B1 Aminoalkylketone derivatives, process for their preparation and their therapeutical use LAFON LABOR (FR) 1995-04-19 EP disclosed
EP-0490769-A1 Aminoalkylketone derivatives, process for their preparation and their therapeutical use LABORATOIRE L. LAFON (FR) 1992-06-17 EP disclosed