SCHEMBL7306575

SCHEMBL7306575

CCC(Oc1ccccc1OC)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 3/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
AOC3 Q16853 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOS2 P35228 1/20 0.40

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
SCHEMBL11347257 0.81 HTR6 (0.50) HTR6SLC6A2SLC6A4AOC3NOS2
SCHEMBL6726520 0.81 AOC3 (0.43) HTR6SLC6A2SLC6A4MEN1KMT2A
SCHEMBL14587100 0.79 AOC3 (0.64) HTR6SLC6A2SLC6A4CYP3A4AOC3
SCHEMBL4938893 0.79 BCHE (0.51) SLC6A2SLC6A4MEN1KMT2AAOC3
SCHEMBL18096546 0.77 HTR6 (0.49) HTR6SLC6A2SLC6A4AOC3
SCHEMBL18096541 0.76 SLC6A2 (0.56) HTR6SLC6A2SLC6A4TSHRAOC3
SCHEMBL6473145 0.74 SLC6A2 (0.54) HTR6SLC6A2SLC6A4CYP2D6AOC3
SCHEMBL5307879 0.72 SLC6A2 (0.51) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL5311201 0.72 SLC6A2 (0.43) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL6487591 0.72 PDE1B (0.43) MEN1KMT2AAOC3ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed