SCHEMBL11114742

SCHEMBL11114742

O=C(NCCN1CCCCC1)Oc1ccc(-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
CD274 Q9NZQ7 2/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR3A P46098 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
KCNH2 Q12809 2/20 0.46
HRH4 Q9H3N8 2/20 0.46
HRH1 P35367 1/20 0.46
FAAH O00519 1/20 0.45
BCHE P06276 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7229518 0.77 CD274 (0.53) CD274MEN1KMT2AHPGD
SCHEMBL11116160 0.77 DRD3 (0.77) KCNH2FAAH
SCHEMBL6027790 0.76 NPC1 (0.50) KMT2A
SCHEMBL11113965 0.76 DRD3 (0.77) KCNH2FAAH
SCHEMBL10133070 0.75 HIF1A (0.51) BCHE
SCHEMBL7230035 0.75 CD274 (0.54) CD274MEN1KMT2AHPGD
SCHEMBL11118691 0.74 ALDH1A1 (0.48)
SCHEMBL11113044 0.74 HRH3 (0.44) ACHEHRH3BCHE
SCHEMBL8150803 0.74 HPGD (0.76) CD274MEN1POLBKMT2AHPGD
SCHEMBL11116644 0.72 DRD3 (0.64) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123700-A1 Substituted picolinic acids, processes for their preparation, their use, and pharmaceutical preparations containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-07 EP disclosed