SCHEMBL5608432

SCHEMBL5608432

COC(=O)OC12CC3CC(CC(N)(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.43
GRIN3B O60391 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIN2C Q14957 3/20 0.43
GRIN3A Q8TCU5 3/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
THRB P10828 2/20 0.37
CYP2C9 P11712 1/20 0.37
NAAA Q02083 1/20 0.35
LMNA P02545 2/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
STAT6 P42226 1/20 0.34

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
SCHEMBL5608031 0.88 NPSR1 (0.39) THRBNAAALMNATSHRNPSR1
SCHEMBL7630280 0.85 GRIN1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3366010 0.83 POLB (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5608146 0.82 POLB (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5608375 0.81 PKM (0.39) PKMDPP8DPP9TSHRNPSR1
SCHEMBL18469162 0.81 DPP4 (0.41) THRBNAAATSHRNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL27804946 0.81 POLB (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15449150 0.81 TSHR (0.45) THRBNAAATSHRNPSR1ALDH1A1
SCHEMBL1696580 0.81 DPP4 (0.41) THRBNAAATSHRNPSR1ALDH1A1
SCHEMBL5179241 0.81 POLB (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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