SCHEMBL23401809

SCHEMBL23401809

CCCCc1nn(CCC)c(C)c1O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
SMPD3 Q9NY59 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 3/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL23403591 0.93 NR1H3 (0.37) FFAR1SMPD3POLBHPGDNPC1
SCHEMBL23399385 0.89 ADORA2A (0.34) ADORA2AADORA2BPOLBESR1
SCHEMBL23401130 0.87 SMPD3 (0.33) FFAR1SMPD3HPGDNPC1MAPK1
SCHEMBL23398864 0.86 NR1H3 (0.37) POLBHPGDNR1H3KDM4EALDH1A1
SCHEMBL23400895 0.84 MAOB (0.31) ADORA2AADORA2BSMPD3
SCHEMBL23401073 0.83 ADORA2A (0.35) ADORA2AADORA2BPOLBESR1
SCHEMBL23399611 0.82
SCHEMBL23400750 0.81 MAPK8 (0.34) FFAR1SMPD3HPGDNPC1MAPK1
SCHEMBL23401399 0.81 FFAR1 (0.36) FFAR1SMPD3
SCHEMBL23398754 0.80 NR1H3 (0.38) POLBHPGDNR1H3ALDH1A1ESR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 EP disclosed
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 WO disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed