SCHEMBL14577964

SCHEMBL14577964

COc1ccc2c(c1)N(C)c1c(CO)ccc(CO)c1C2C(=O)Oc1c(F)ccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.32
CPS1 P31327 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADRB2 P07550 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL7591680 0.85 SLC6A2 (0.37) MTNR1BCPS1SLC6A2SLC6A4SLC6A3
SCHEMBL14564646 0.85 TAS1R3 (0.34) MTNR1BCPS1SLC6A2SLC6A4SLC6A3
SCHEMBL14153971 0.84 SLC6A2 (0.32) MTNR1BSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14153964 0.82 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3NPC1POLB
SCHEMBL3858839 0.82 TAS1R3 (0.34) CPS1SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL7592395 0.82 TAS1R3 (0.34) SLC6A2SLC6A4SLC6A3NPC1POLB
SCHEMBL914119 0.80 HDAC4 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1NPC1
SCHEMBL7787073 0.76 ALDH1A1 (0.38) MTNR1BCPS1ALDH1A1NPC1POLB
SCHEMBL7787045 0.74 HDAC4 (0.39) CPS1ALDH1A1NPC1POLBHTT
SCHEMBL7787007 0.72 MEN1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2

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
US-20070059841-A1 ELECTROCHEMILUMINESCENCE FROM ACRIDAN COMPOUNDS LUMIGEN, INC. 2007-03-15 US disclosed
US-7186568-B1 Providing a solution of an acridan compound and a peroxide, electrochemically oxidizing the acridan compound at a electrode to form an oxidized intermediate compound wherein the oxidized intermediate compound reacts with the peroxide provided in the solution to produce the chemiluminescence LUMIGEN INC. (US) 2007-03-06 US disclosed