SCHEMBL9048701

SCHEMBL9048701

Cc1noc(C23CCCN(CC2)C3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CHRM2 P08172 1/20 0.43
KRAS P01116 1/20 0.32

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
SCHEMBL9049643 0.97 HSD11B1 (0.46) HSD11B1CHRM2KRAS
SCHEMBL9049262 0.94 CHRM2 (0.48) HSD11B1CHRM2
Oxalic Acid SCHEMBL9051385 0.92 HSD11B1 (0.39) HSD11B1CHRM2
SCHEMBL8790855 0.90 HSD11B1 (0.46) HSD11B1CHRM2KRAS
Oxalic Acid SCHEMBL9050512 0.88 HSD11B1 (0.41) HSD11B1CHRM2
Oxalic Acid SCHEMBL9050722 0.85 CHRM2 (0.42) HSD11B1CHRM2
Oxalic Acid SCHEMBL8790622 0.82 HSD11B1 (0.41) HSD11B1CHRM2
SCHEMBL10588564 0.76 EPHX2 (0.32)
SCHEMBL9050429 0.75 HCRTR1 (0.32)
SCHEMBL9786022 0.74 HSD11B1 (0.33) HSD11B1CHRM2

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-0287356-B1 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1996-01-24 EP claimed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 EP claimed