SCHEMBL11534864

SCHEMBL11534864

COc1ccccc1OCCNC(C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
HTR1A P08908 2/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ADRB2 P07550 7/20 0.51
DRD2 P14416 3/20 0.51
DRD1 P21728 3/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 3/20 0.51
ADRB1 P08588 2/20 0.51
LMNA P02545 3/20 0.50
AGTR1 P30556 1/20 0.50
CYP1A2 P05177 1/20 0.50
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HTR1B P28222 1/20 0.49

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
SCHEMBL28156705 0.81 ADRB2 (0.68) MTNR1AMTNR1BHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL10772911 0.80 ADRB2 (0.66) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL8055391 0.77 SIGMAR1 (0.55) MTNR1AMTNR1BHTR1AADRA1DADRA1A
SCHEMBL6192822 0.77 MTNR1A (0.62) MTNR1AMTNR1BHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL9064978 0.76 MTNR1A (0.50) MTNR1AMTNR1BHTR1AADRA1DADRA1A
SCHEMBL10585937 0.76 ADRB2 (0.61) MTNR1AMTNR1BHTR1AADRA1DADRA1A
SCHEMBL1592409 0.75 CA12 (0.68) MTNR1AMTNR1BHTR1AADRA1DADRA1A
SCHEMBL8001439 0.75 MTNR1A (0.60) MTNR1AMTNR1BHTR1AADRA1DADRA1A
SCHEMBL5819256 0.75 LMNA (0.56) MTNR1AMTNR1BHTR1AADRA1DADRA1A
SCHEMBL5694627 0.75 MTNR1A (0.60) MTNR1AMTNR1BHTR1AADRA1DADRA1A

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
US-4152438-A HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1979-05-01 US disclosed