SCHEMBL10683054

SCHEMBL10683054

CC(Oc1cccc2c1CCCC2=O)C1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRB3 P13945 1/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
SLC6A2 P23975 7/20 0.36
SLC6A3 Q01959 7/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRD4 O60885 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL10680935 0.84 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL15283161 0.79 TSHR (0.50) SLC6A4ADRB2ADRB1HTR1AADRB3
SCHEMBL10678364 0.76 HTR1A (0.38) SLC6A4ADRB2ADRB1HTR1AADRB3
SCHEMBL10685059 0.75 MAOA (0.42) HTR2AHTR2CHTR2BBRD4
SCHEMBL10680054 0.75 MAOA (0.42) HTR2AHTR2CHTR2B
SCHEMBL10685350 0.74 BRD4 (0.49) SLC6A4ADRB2ADRB1HTR1AADRB3
SCHEMBL3324787 0.72 HTR1A (0.43) SLC6A4HTR1AHTR2CHTR2BSLC6A2
SCHEMBL3324983 0.72 HTR1A (0.43) SLC6A4HTR1AHTR2CHTR2BSLC6A2
SCHEMBL10677927 0.72 HRH1 (0.49) SLC6A4ADRB2ADRB1HTR1AADRB3
SCHEMBL3324795 0.72 HTR1A (0.43) SLC6A4HTR1AHTR2CHTR2BSLC6A2

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
US-4780478-A Aminopropoxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 1988-10-25 US disclosed
US-4508732-A Basic ethers useful as antidepressant agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-02 US disclosed
US-4376123-A Hexahydroazepinyloxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-03-08 US disclosed