SCHEMBL5756580

SCHEMBL5756580

Clc1ccc(CNCCN2CCCCCC2)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.74
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DPP7 Q9UHL4 2/20 0.58
KCNH2 Q12809 2/20 0.54
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
CYP3A4 P08684 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
SMYD2 Q9NRG4 1/20 0.51

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
Hydrochloric Acid SCHEMBL5754393 0.98 SIGMAR1 (0.72) SIGMAR1POLBSMN1; SMN2DPP7KCNH2
Hydrochloric Acid SCHEMBL5757385 0.97 SIGMAR1 (0.74) SIGMAR1POLBSMN1; SMN2DPP7KCNH2
SCHEMBL9710088 0.85 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL3171554 0.84 DPP7 (0.79) SIGMAR1DPP7CYP2D6CYP3A4
SCHEMBL18769723 0.83 DPP7 (0.68) SIGMAR1SMN1; SMN2DPP7KCNH2
SCHEMBL3165932 0.82 DPP7 (0.82) SIGMAR1DPP7CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL5758747 0.81 DPP7 (0.66) SIGMAR1SMN1; SMN2DPP7
SCHEMBL18769662 0.81 DPP7 (0.70) SIGMAR1SMN1; SMN2DPP7CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL5760498 0.80 DPP7 (0.68) SIGMAR1POLBSMN1; SMN2DPP7
Hydrochloric Acid SCHEMBL5754522 0.79 DPP7 (0.63) SIGMAR1DPP7CYP1A2CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed