SCHEMBL19974758

SCHEMBL19974758

O=C(O)NCCNC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
OPRL1 P41146 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 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
SCHEMBL19975067 0.94 P2RX7 (0.49) P2RX7GAAKMT2AALDH1A1CYP2C9
SCHEMBL19975520 0.94 P2RX7 (0.49) P2RX7GAAKMT2AALDH1A1CYP2C9
SCHEMBL19975060 0.94 P2RX7 (0.49) P2RX7GAAKMT2AALDH1A1CYP2C9
SCHEMBL21183538 0.91 P2RX7 (0.50) P2RX7GAAKMT2AALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL19975340 0.90 P2RX7 (0.49) P2RX7GAAKMT2AALDH1A1CYP2C9
SCHEMBL21183531 0.89 P2RX7 (0.51) P2RX7GAAKMT2AALDH1A1CYP2C9
SCHEMBL21183595 0.89 P2RX7 (0.51) P2RX7GAAKMT2AALDH1A1CYP2C9
SCHEMBL21176272 0.89 P2RX7 (0.52) P2RX7GAAKMT2AALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL19974706 0.88 P2RX7 (0.50) P2RX7GAAKMT2AALDH1A1CYP2C9
SCHEMBL19975579 0.88 P2RX7 (0.50) P2RX7GAAKMT2AALDH1A1CYP2C9

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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed