SCHEMBL30454697

SCHEMBL30454697

CCCCCCNNNCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.51
▸ MAOA P21397 1/20 0.50
▸ HDAC3 O15379 5/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ CHRM2 P08172 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TLR2 O60603 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL9766680 0.89 SIGMAR1 (0.55) SIGMAR1MAOAHDAC3HDAC8HDAC1
SCHEMBL4347113 0.89 SIGMAR1 (0.55) SIGMAR1MAOAHDAC3HDAC8HDAC1
Hydrochloric Acid SCHEMBL28119181 0.87 SIGMAR1 (0.53) SIGMAR1MAOAHDAC3HDAC8HDAC1
SCHEMBL2936967 0.87 SIGMAR1 (0.56) SIGMAR1MAOAHDAC3HDAC8HDAC1
SCHEMBL11129280 0.81 HDAC3 (0.51) SIGMAR1MAOAHDAC3HDAC8HDAC1
SCHEMBL2748121 0.79 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3
SCHEMBL2887852 0.79 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3
SCHEMBL5950191 0.79 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3
SCHEMBL339686 0.79 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3
SCHEMBL1692071 0.79 MAOA (0.80) SIGMAR1MAOACHRM2HRH4HRH3

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-3566721-B1 METHOD FOR RADIOLABELING HEXA-LACTOSIDE POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENT FOR LIVER RECEPTOR WITH GA-68 INER AEC EXECUTIVE YUAN (TW) 2023-06-14 — — EP claimed
EP-3566721-B1 METHOD FOR RADIOLABELING HEXA-LACTOSIDE POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENT FOR LIVER RECEPTOR WITH GA-68 INER AEC EXECUTIVE YUAN (TW) 2023-06-14 — — EP disclosed
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