SCHEMBL9308514

SCHEMBL9308514

Nc1ccc(CN2C(=O)CCc3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.77
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
CHRM2 P08172 3/20 0.53
CHRM4 P08173 3/20 0.53
CHRM5 P08912 3/20 0.53
CHRM1 P11229 3/20 0.53
DRD2 P14416 3/20 0.53
CHRM3 P20309 3/20 0.53
DRD4 P21917 3/20 0.53
DRD3 P35462 3/20 0.53
ATAD2 Q6PL18 1/20 0.49
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 1/20 0.47
LMNA P02545 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
SCHEMBL10688767 0.87 POLB (1.00) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL29880432 0.87 POLB (1.00) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL31667178 0.85 POLB (0.77) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL9308870 0.85 POLB (0.77) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL30806307 0.82 POLB (0.68) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL27376419 0.82 POLB (0.68) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL7217564 0.82 CA1 (0.62) POLBMEN1KMT2ASMN1; SMN2ATAD2
SCHEMBL9308859 0.81 POLB (0.76) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL30100689 0.81 POLB (0.71) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL30100692 0.81 POLB (0.71) POLBMEN1KMT2ACYP1A2CYP2C9

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-5371226-A Hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-12-06 US disclosed
EP-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 EP disclosed