SCHEMBL11401109

SCHEMBL11401109

OC1(N2CCCCC2)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PDK2 Q15119 5/20 0.46
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ PRCP P42785 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13400224 0.73 ALDH1A1 (0.41) ATML3MBTL1PDK2SLC6A2SLC6A4
SCHEMBL26531017 0.71 CYP19A1 (0.47) SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B
SCHEMBL13400230 0.69 ATM (0.43) ATML3MBTL1PDK2KCNH2
SCHEMBL10652596 0.67 SIGMAR1 (0.41) SLC6A2SLC6A4SLC6A3GRIN2DGRIN3B
SCHEMBL30899336 0.65 PDK2 (0.56) L3MBTL1PDK2THRBTDP1
SCHEMBL21842337 0.65 PDK2 (0.56) L3MBTL1PDK2THRBTDP1
SCHEMBL30773534 0.65 PDK2 (0.56) L3MBTL1PDK2THRBTDP1
SCHEMBL4325901 0.65 PDK2 (0.56) L3MBTL1PDK2THRBTDP1
SCHEMBL7312265 0.64 PDK2 (0.45) ATML3MBTL1PDK2THRBTDP1
SCHEMBL16965624 0.63 APEX1 (0.46) L3MBTL1PDK2

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
US-4251655-A GASTRIC ACID ANTISECRETORY AGENTS MCNEILAB, INC. (US) 1981-02-17 — — US disclosed
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