SCHEMBL21450643

SCHEMBL21450643

CCC(C)CC(C)N1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.34
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
HTR1A P08908 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 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
SCHEMBL19014796 0.88
SCHEMBL26841313 0.84
SCHEMBL14156852 0.82 CYP3A4 (0.34) CYP2D6ALDH1A1
SCHEMBL16596840 0.82 CYP3A4 (0.34) CYP2D6ALDH1A1
SCHEMBL23134687 0.81 MC4R (0.39) MC4RCHRM2CHRM1HTR1ACHRM4
SCHEMBL8280536 0.81 MC4R (0.39) MC4RCHRM2CHRM1HTR1ACHRM4
SCHEMBL14157766 0.81 IDO1 (0.35) MC4RCHRM2CHRM1HTR1ACHRM4
SCHEMBL15363058 0.80 CYP3A4 (0.30) CYP2D6ALDH1A1
SCHEMBL13412949 0.79 MC4R (0.38) MC4RCHRM2CHRM1HTR1ACHRM4
SCHEMBL15304457 0.79 ALDH1A1 (0.36) MC4RALDH1A1

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
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 EP disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed