SCHEMBL6903985

SCHEMBL6903985

COc1ccccc1OCCCc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
ADRB2 P07550 2/20 0.49
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
DRD4 P21917 2/20 0.47
ENPP2 Q13822 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6221439 0.84 HTR2A (0.49) ADRB2HTR2CHTR2BHTR2APOLB
SCHEMBL11419578 0.82 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL11566953 0.78 MRGPRX4 (0.46) HTR1AADRA1DADRA1AADRA1BENPP2
SCHEMBL29742293 0.74 L3MBTL1 (0.70) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL29742239 0.74 L3MBTL1 (0.77) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL5241228 0.74 TAAR1 (0.68) CYP3A4HTR2BHTR3EHTR3BHTR3A
SCHEMBL1541828 0.74 SMN1; SMN2 (0.47) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL3096336 0.73 TAAR1 (0.57) CYP3A4HTR2CHTR2BHTR3EHTR3B
SCHEMBL791938 0.73 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL7438250 0.73 ABCB1 (0.56) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425002-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENTS IN THE TREATMENT OF CANCER Ramot at Tel Aviv University Ltd. (IL) 2004-06-09 EP disclosed
WO-2003022258-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENT IN THE TREATMENT OF CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-03-20 WO disclosed