SCHEMBL22620486

SCHEMBL22620486

CC1(C)CCC(O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR1H2 P55055 1/20 0.41
RORC P51449 6/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL25079011 0.86 CHRM2 (0.43) CHRM2CHRM1CHRM3NR1H2RORC
SCHEMBL18598985 0.86 NR1H2 (0.42) CHRM2CHRM1CHRM3NR1H2RORC
SCHEMBL31279010 0.86 NR1H2 (0.42) CHRM2CHRM1CHRM3NR1H2RORC
SCHEMBL22620477 0.83 NR1H2 (0.40) CHRM2CHRM1CHRM3NR1H2RORC
SCHEMBL16903486 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3NR1H2HPGD
SCHEMBL25078967 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3NR1H2HPGD
SCHEMBL16903484 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3NR1H2HPGD
SCHEMBL22620485 0.80 HPGD (0.40) NR1H2RORCHPGDUSP2SMN1; SMN2
SCHEMBL14494 0.78 HPGD (0.53) CHRM2CHRM1CHRM3NR1H2HPGD
SCHEMBL241055 0.78 HPGD (0.53) CHRM2CHRM1CHRM3NR1H2HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020221294-A1 BRIDGE RING-3,4-DIHYDRO-PYRIDO[1,2-A]PYRAZINE-1,8-DIONE COMPOUND AND PHARMACEUTICAL USE THEREOF 上海拓界生物医药科技有限公司 2020-11-05 WO disclosed