SCHEMBL20005993

SCHEMBL20005993

COC1CC(C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
PREP P48147 2/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL27443087 0.85 HSD17B10 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL27439612 0.85 HSD17B10 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL27516238 0.85 HSD17B10 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL27707074 0.83 GPR119 (0.41) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL23863690 0.82 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL21360452 0.82 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL25568135 0.82 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL17519842 0.82 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL15018794 0.82 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL17012875 0.82 CHRM2 (0.44) CHRM2CHRM1CHRM3HSD17B10HPGD

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
CN-111471059-B PDE9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-12-02 CN disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed