SCHEMBL5608802

SCHEMBL5608802

NC12CC3(N)CC(O)(C1)CC(O)(C2)C3

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40

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
Hydrochloric Acid SCHEMBL23538758 0.89
SCHEMBL4064449 0.84 PKM (0.36) PKM
SCHEMBL5607957 0.80 DPP4 (0.37) PKM
SCHEMBL5608216 0.80 DPP4 (0.37) PKM
SCHEMBL5562907 0.76 SLC22A2 (0.31)
SCHEMBL16118672 0.76
SCHEMBL546732 0.76
SCHEMBL18543254 0.74 LMNA (0.41) PKM
SCHEMBL18543255 0.74 LMNA (0.41) PKM
SCHEMBL12796053 0.74 PKM (0.33) PKM

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
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed