SCHEMBL5608068

SCHEMBL5608068

CC12CC3(O)CC(O)(C1)CC([N+](=O)[O-])(C2)C3

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL5608321 0.96 CRHBP (0.47) CRHBPCRHR2
SCHEMBL1075031 0.96 CRHBP (0.42) CRHBPCRHR2
SCHEMBL5608319 0.87 CRHBP (0.41) CRHBPCRHR2
SCHEMBL5608156 0.84 CRHBP (0.45) CRHBPCRHR2
SCHEMBL14457111 0.82 CRHBP (0.41) CRHBPCRHR2
SCHEMBL5608359 0.82 CRHBP (0.46) CRHBPCRHR2
SCHEMBL7173119 0.80 CRHBP (0.45) CRHBPCRHR2
SCHEMBL6230086 0.71 LMNA (0.34) CRHBPCRHR2
SCHEMBL987284 0.68 PKM (0.41)
SCHEMBL5917100 0.68 CRHBP (0.50) CRHBPCRHR2

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