SCHEMBL9753055

SCHEMBL9753055

CCOC(=O)C1(N)CCCCC1CCCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.41
ARG2 P78540 2/20 0.41
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL9752802 0.90 ARG1 (0.42) ARG1ARG2MAPK1CYP3A4LMNA
SCHEMBL28592319 0.76 ARG1 (0.39) ARG1ARG2SMN1; SMN2MEN1KMT2A
SCHEMBL9752857 0.74 LMNA (0.50) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL27667817 0.73 KMT2A (0.36) MAPK1CYP3A4LMNAABCB11CYP1A2
SCHEMBL18828224 0.71 ALDH1A1 (0.38) MAPK1CYP3A4LMNAABCB11CYP1A2
SCHEMBL27667349 0.70 KMT2A (0.37) MAPK1CYP3A4LMNAABCB11CYP1A2
SCHEMBL30827370 0.67 ARG1 (0.39) ARG1ARG2MAPK1CYP3A4LMNA
SCHEMBL30827367 0.67 ARG1 (0.39) ARG1ARG2MAPK1CYP3A4LMNA
SCHEMBL30827366 0.67 ARG1 (0.39) ARG1ARG2MAPK1CYP3A4LMNA
SCHEMBL17684986 0.67 ARG1 (0.56) ARG1ARG2

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-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed