SCHEMBL11249546

SCHEMBL11249546

CN(C)CCCc1ccc(C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.53
THRB P10828 2/20 0.53
LMNA P02545 1/20 0.51
KCNH2 Q12809 1/20 0.46
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
BCL2L1 Q07817 1/20 0.44
PARP10 Q53GL7 1/20 0.43
HSD17B10 Q99714 1/20 0.42
AOC3 Q16853 1/20 0.42
CHEK2 O96017 1/20 0.41

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
SCHEMBL9283021 0.89 HRH3 (0.56) THRATHRBPLA2G10PLA2G2AHRH3
SCHEMBL1346949 0.84 RARB (0.59) THRATHRBLMNAKCNH2SIGMAR1
SCHEMBL9149170 0.84 HSD17B10 (0.61) THRATHRBLMNAKCNH2SIGMAR1
SCHEMBL11451779 0.82 THRA (0.53) THRATHRBLMNAKCNH2SIGMAR1
SCHEMBL24022357 0.81 BCHE (0.50) PLA2G10PLA2G2ASIGMAR1
SCHEMBL28049825 0.81 THRA (0.63) THRATHRBLMNAKCNH2SIGMAR1
SCHEMBL9670561 0.80 SIGMAR1 (0.64) LMNAKCNH2SIGMAR1HRH3HTR1A
SCHEMBL607614 0.79 RARB (0.62) THRATHRBHSD17B10
SCHEMBL5068476 0.79 CYP4A11 (0.68) THRATHRBLMNAHSD17B10
SCHEMBL2677626 0.78 RARB (0.64) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047536-A2 Substituted propylamines ELI LILLY AND COMPANY (US) 1982-03-17 EP claimed
EP-0047536-A2 Substituted propylamines ELI LILLY AND COMPANY (US) 1982-03-17 EP disclosed
EP-0007206-A1 Phenethanolamines, their formulations, preparation and use ELI LILLY AND COMPANY (US) 1980-01-23 EP disclosed