SCHEMBL6973435

SCHEMBL6973435

C1CCC(NCCCN2CCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.55
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH3 Q9Y5N1 4/20 0.48
CYP2C9 P11712 1/20 0.44
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CXCR4 P61073 2/20 0.41
CXCL12 P48061 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
TMEM97 Q5BJF2 2/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40

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
SCHEMBL20614282 0.98 RAD52 (0.58) RAD52LMNASMN1; SMN2HRH3CYP2C9
SCHEMBL7947655 0.98 RAD52 (0.58) RAD52LMNASMN1; SMN2HRH3CYP2C9
SCHEMBL6493217 0.92 RAD52 (0.59) RAD52LMNASMN1; SMN2HRH3CYP2C9
SCHEMBL6503351 0.92 RAD52 (0.59) RAD52LMNASMN1; SMN2HRH3CYP2C9
SCHEMBL3446318 0.85 RAD52 (0.72) RAD52SMN1; SMN2HRH3CYP2C9CYP1A2
SCHEMBL6975115 0.85 GAA (0.60) RAD52LMNASMN1; SMN2EPHX1GAA
SCHEMBL6977293 0.85 LMNA (0.47) RAD52LMNASMN1; SMN2HRH3CYP2C9
SCHEMBL11507 0.83 HRH3 (0.48) RAD52LMNASMN1; SMN2HRH3CYP2C9
SCHEMBL17484488 0.83 RAD52 (0.60) RAD52LMNASMN1; SMN2HRH3CYP2C9
SCHEMBL13045564 0.83 GAA (0.62) RAD52LMNASMN1; SMN2EPHX1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 WO disclosed