SCHEMBL21711072

SCHEMBL21711072

NCCN1CCN(CCNCCN2CCN(CCN)C2=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
DPP4 P27487 2/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL20656064 0.96 ACE2 (0.50) ACE2DPP4ALOX15MEN1CA12
SCHEMBL22030132 0.94 ACE2 (0.48) ACE2DPP4ALOX15MEN1CA12
SCHEMBL471725 0.87 ALOX15 (0.41) ALOX15KMT2A
SCHEMBL24530258 0.87 DPP4 (0.37) ACE2DPP4CA12
SCHEMBL22030393 0.87 ALDH1A1 (0.42) ACE2KMT2A
SCHEMBL24530267 0.86 DPP4 (0.39) ACE2DPP4CA12
SCHEMBL24530419 0.82 ACE2 (0.34) ACE2DPP4
SCHEMBL24530260 0.81 ACE2 (0.43) ACE2DPP4ALOX15MEN1CA12
SCHEMBL24530376 0.79 ACE2 (0.42) ACE2DPP4ALOX15MEN1CA12
SCHEMBL20656247 0.78 DPP4 (0.33) ACE2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135544-B2 Acidic gas absorbent, acidic gas removal method and acidic gas removal apparatus KABUSHIKI KAISHA TOSHIBA (JP) 2021-10-05 US disclosed
US-20200047110-A1 ACIDIC GAS ABSORBENT, ACIDIC GAS REMOVAL METHOD AND ACIDIC GAS REMOVAL APPARATUS KABUSHIKI KAISHA TOSHIBA (JP) 2020-02-13 US disclosed