SCHEMBL9640997

SCHEMBL9640997

CC(Cc1ccccc1)NCCC(O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.73
ADRB1 P08588 1/20 0.73
HTR1A P08908 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
DRD2 P14416 1/20 0.73
ADRA2B P18089 1/20 0.73
ADRA2C P18825 1/20 0.73
CNR1 P21554 1/20 0.73
SLC6A2 P23975 1/20 0.73
HTR2A P28223 1/20 0.73
SLC6A4 P31645 1/20 0.73
MC4R P32245 1/20 0.73
ADRA1A P35348 1/20 0.73
HRH1 P35367 1/20 0.73
OPRM1 P35372 1/20 0.73
DRD3 P35462 1/20 0.73
SCN1A P35498 1/20 0.73
OPRK1 P41145 1/20 0.73
SLC6A3 Q01959 1/20 0.73
KCNH2 Q12809 1/20 0.73

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
Prenylamine SCHEMBL77916 0.85 HTR1A (1.00) ADRB2ADRB1HTR1AADORA3DRD2
Prenylamine SCHEMBL5053804 0.85 HTR1A (1.00) ADRB2ADRB1HTR1AADORA3DRD2
Prenylamine SCHEMBL182253 0.85 HTR1A (1.00) ADRB2ADRB1HTR1AADORA3DRD2
SCHEMBL7149115 0.83 ADRB2 (0.75) ADRB2ADRB1HTR1AADORA3DRD2
Prenylamine SCHEMBL5525021 0.83 HTR1A (0.97) ADRB2ADRB1HTR1AADORA3DRD2
SCHEMBL7937104 0.83 ADRB2 (0.75) ADRB2ADRB1HTR1AADORA3DRD2
Prenylamine SCHEMBL29389965 0.83 HTR1A (0.97) ADRB2ADRB1HTR1AADORA3DRD2
SCHEMBL7149113 0.83 ADRB2 (0.75) ADRB2ADRB1HTR1AADORA3DRD2
Prenylamine SCHEMBL10614915 0.82 CYP1A2 (1.00) ADRB2ADRB1HTR1AADORA3DRD2
SCHEMBL12312536 0.81 CYP2D6 (0.54) ADRB2ADRB1HTR1AADORA3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290122-B1 MORPHOLINE DERIVATIVES AND THEIR USE BEECHAM GROUP PLC (GB) 1992-12-23 EP disclosed
US-5082840-A Animal growth regulators BEECHAM GROUP P.L.C. (GB) 1992-01-21 US disclosed
US-4914202-A FOR IMPROVING FEED EFFICIENCY IN LIVESTOCK BEECHAM GROUP P.L.C. (GB) 1990-04-03 US disclosed
EP-0290122-A1 Morpholine derivatives and their use BEECHAM GROUP PLC (GB) 1988-11-09 EP disclosed