SCHEMBL4736675

SCHEMBL4736675

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)NN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 5/20 0.50
LMNA P02545 5/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2C19 P33261 2/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL4738276 0.89 CYP2C19 (0.52) MEN1KMT2ALMNAMAPTGAA
SCHEMBL4736709 0.89 LMNA (0.57) MEN1KMT2AHTTLMNAMAPT
SCHEMBL4737593 0.89 LMNA (0.57) MEN1KMT2AHTTLMNAMAPT
SCHEMBL4740136 0.87 USP5 (0.53) MEN1KMT2ALMNASMN1; SMN2CYP2C19
SCHEMBL4738286 0.86 LMNA (0.55) MEN1KMT2AHTTLMNAGAA
SCHEMBL4737612 0.85 LMNA (0.50) LMNAGAASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL4741627 0.83 CYP2C19 (0.59) LMNAGAASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL4736640 0.83 AKR1C3 (0.55) LMNAMAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL4737576 0.82 HSD17B10 (0.46) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4740625 0.81 LMNA (0.57) HTTLMNAMAPTSMN1; SMN2ALDH1A1

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
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed