SCHEMBL9801124

SCHEMBL9801124

NCCCCN1CCN(CCN)CC1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.72
SIGMAR1 Q99720 3/20 0.53
KEAP1 Q14145 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE2 Q9BYF1 1/20 0.48
CYP2D6 P10635 1/20 0.45

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
SCHEMBL4666999 0.94
SCHEMBL1615517 0.94 ALOX15 (0.61) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2
SCHEMBL1614358 0.92 ALOX15 (0.58) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2
SCHEMBL1614410 0.92 ALOX15 (0.58) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2
SCHEMBL1615270 0.92 ALOX15 (0.58) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2
SCHEMBL1615232 0.92 ALOX15 (0.58) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2
SCHEMBL4559690 0.92 ALOX15 (0.77) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2
SCHEMBL1614431 0.92 ALOX15 (0.58) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2
SCHEMBL1615521 0.92 ALOX15 (0.58) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2
SCHEMBL18071938 0.92 KEAP1 (0.61) ALOX15SIGMAR1KEAP1SMN1; SMN2ACE2

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
US-4289881-A FROM A 2-HYDROXYETHYL OR 2-AMINOETHYL PIPERAZINE USING A SILICON DIOXIDE CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 US claimed
US-20150354323-A1 NON-ALKYL PYRIDINE SOUR CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME Lubrizol Oilfield Solutions, Inc. 2015-12-10 US disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed