SCHEMBL30801800

SCHEMBL30801800

O=C1[C@@H]2CNCCN2CCN1c1ncc(C2CCCCC2)s1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.34
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL23113756 1.00 CHRNA7 (0.34) CHRNA7CYP1A2CYP3A4TSHRSMN1; SMN2
SCHEMBL30801825 1.00 CHRNA7 (0.34) CHRNA7CYP1A2CYP3A4TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL23113730 0.91 CHRNA7 (0.34) CHRNA7
SCHEMBL30801914 0.86
SCHEMBL30801826 0.86
SCHEMBL30801782 0.86
SCHEMBL30801865 0.86
SCHEMBL30801802 0.84
SCHEMBL30801852 0.84
SCHEMBL30801860 0.84

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-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 EP claimed