SCHEMBL6168564

SCHEMBL6168564

O=C(O)NCCCCc1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ASAH1 Q13510 5/20 0.40
TRPV1 Q8NER1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
NAAA Q02083 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1257990 0.82 P2RX7 (0.40) ASAH1TRPV1SMN1; SMN2NAAA
SCHEMBL2840152 0.80 SMN1; SMN2 (0.56) SMN1; SMN2HPGDLMNA
SCHEMBL31036071 0.80 MEN1 (0.55) KMT2ATRPV1SMN1; SMN2
SCHEMBL2846951 0.78 SMN1; SMN2 (0.55) SMN1; SMN2HPGDNAAALMNA
SCHEMBL18794901 0.76 ALDH1A1 (0.52) KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL2846544 0.75 CYP1A2 (0.48) ASAH1
SCHEMBL2399053 0.75 MAPT (0.52) SMN1; SMN2LMNATSHR
SCHEMBL17057294 0.74 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HPGDLMNATSHR
SCHEMBL2843465 0.74 SMN1; SMN2 (0.58) SMN1; SMN2HPGDLMNA
SCHEMBL2841416 0.74 HTR1A (0.49) ASAH1TRPV1

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-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
EP-1534281-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) Astrazeneca AB (SE) 2005-06-01 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
WO-2004006925-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) ASTRAZENECA AB (SE) 2004-01-22 WO disclosed