SCHEMBL31328458

SCHEMBL31328458

Cc1ccc(C2CCNCC2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.71
HTR2C P28335 12/20 0.54
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TLR9 Q9NR96 3/20 0.43
TLR8 Q9NR97 3/20 0.43
TLR7 Q9NYK1 3/20 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
SCHEMBL18262830 0.87 QDPR (0.52) QDPR
SCHEMBL17395615 0.86 QDPR (0.71) QDPRHTR2CSLC18A3SIGMAR1TLR9
SCHEMBL14300550 0.83 QDPR (0.49) QDPR
SCHEMBL2709718 0.83 HTR2C (0.59) QDPRHTR2CSLC18A3SIGMAR1TLR9
SCHEMBL16736858 0.83 ACMSD (0.51) QDPR
SCHEMBL8385390 0.83 QDPR (1.00) QDPRHTR2CSLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL4881862 0.81 HTR2C (0.61) QDPRHTR2CSLC18A3SIGMAR1TLR9
SCHEMBL22313839 0.81 ACMSD (0.53) QDPR
SCHEMBL3357755 0.81 ACMSD (0.53) QDPR
SCHEMBL29890620 0.81 ACMSD (0.53) QDPR

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-4731223-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY Universitat De Barcelona (ES) 2026-04-29 EP disclosed
WO-2024261340-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY UNIVERSITAT DE BARCELONA (ES) 2024-12-26 WO disclosed