SCHEMBL20179872

SCHEMBL20179872

CN1CCC(OCC(=O)O)C(F)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 6/20 0.33
SSTR1 P30872 3/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL22954521 0.87 SSTR4 (0.33) SSTR4SSTR1SMN1; SMN2MAPT
SCHEMBL22166895 0.85
SCHEMBL22329079 0.80 HRH3 (0.31) ALDH1A1
SCHEMBL15888621 0.78 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL13162618 0.78 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL13162638 0.78 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL20179859 0.76
SCHEMBL12108445 0.76 CHRM4 (0.45) CHRM4CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL21367217 0.73 NCF1 (0.35)
SCHEMBL18391577 0.73 NCF1 (0.35)

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-2018090862-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-05-24 WO disclosed