SCHEMBL5756941

SCHEMBL5756941

O=C(c1ccc(F)cc1)C1CCN(C(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.43
NPY5R Q15761 2/20 0.42
HSD11B1 P28845 3/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL5757096 0.94 ALDH1A1 (0.46) ALDH1A1NPY5RKMT2AMEN1
SCHEMBL7300582 0.84 LMNA (0.51) GAALMNAKMT2ACYP1A2CYP3A4
SCHEMBL6009365 0.81 HTR2A (0.46) GAALMNACYP1A2CYP3A4CYP2D6
SCHEMBL5754014 0.79 CYP19A1 (0.48) GAALMNAALDH1A1NPY5RKMT2A
SCHEMBL5757058 0.79 SLC18A3 (0.47) GAAALDH1A1
SCHEMBL5756913 0.79 CYP2C19 (0.51) LMNAALDH1A1HSD11B1CYP1A2CYP3A4
SCHEMBL5757158 0.77 HSD11B1 (0.54) LMNAALDH1A1HSD11B1CYP1A2CYP3A4
SCHEMBL10698595 0.77 HSD11B1 (0.46) GAALMNAALDH1A1HSD11B1
SCHEMBL9377800 0.74 HSD11B1 (0.57) LMNAALDH1A1HSD11B1CYP1A2CYP3A4
SCHEMBL6008687 0.74 HTR2A (0.47) ALDH1A1KMT2AMEN1

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 6 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 claimed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP claimed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO claimed
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