SCHEMBL30616319

SCHEMBL30616319

CCN1CCCNCC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
INMT O95050 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 3/20 0.34
PIK3CD O00329 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL92375 0.88
Hydrochloric Acid SCHEMBL854039 0.86 GPR4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL29490447 0.85 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SMN1; SMN2ACHE
SCHEMBL30970237 0.82 MEN1 (0.42) SLC6A2SLC6A4SLC6A3SMN1; SMN2ACHE
SCHEMBL16611660 0.80 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3SMN1; SMN2ACHE
Acetic Acid SCHEMBL767832 0.79 KMT2A (0.36) INMTALDH1A1
SCHEMBL20793304 0.77 ACHE (0.36) SLC6A2SLC6A4SLC6A3ACHEKDM4E
SCHEMBL21257816 0.77 KDM4E (0.34) SLC6A2SLC6A4SLC6A3SMN1; SMN2ACHE
SCHEMBL21257695 0.76 CXCR4 (0.39) SLC6A2SLC6A4SLC6A3ACHE
SCHEMBL5342102 0.76 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPT

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-3684829-B1 COMPOSITION AND METHOD TO PRODUCE MICROCELLULAR POLYURETHANE FOAM SYSTEMS BASF SE (DE) 2023-09-20 EP claimed
EP-3684829-B1 COMPOSITION AND METHOD TO PRODUCE MICROCELLULAR POLYURETHANE FOAM SYSTEMS BASF SE (DE) 2023-09-20 EP disclosed