SCHEMBL19963538

SCHEMBL19963538

C=CC(=O)NC(C)(C)C(=O)NC(Cc1cnc[nH]1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR1E P28566 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HRH3 Q9Y5N1 6/20 0.40
▸ ITGB2 P05107 2/20 0.40
▸ ICAM1 P05362 2/20 0.40
▸ ITGAL P20701 2/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.37

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
SCHEMBL19951587 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALALOX5SLC6A5
SCHEMBL30374580 0.88 ITGB2 (0.40) HRH3ITGB2ICAM1ITGALSLC6A5
SCHEMBL4535076 0.86 HTR1D (0.48) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL29222912 0.78 ITGB2 (0.46) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL19963571 0.77 ATM (0.52) —
SCHEMBL5808674 0.76 HTR1D (0.51) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL13912170 0.76 HRH3 (0.47) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL7598348 0.76 ITGB2 (0.55) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL18814494 0.76 REN (0.49) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL1486141 0.76 REN (0.49) HTR1DHTR2CHTR1EHTR2BHTR2A

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-3510041-B1 PROCESSES FOR SEPARATING AGGREGATED PROTEINS FROM MONOMERIC PROTEINS IN A BIOLOGICAL SOLUTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-05-31 — — EP disclosed
WO-2018048698-A1 PROCESSES FOR SEPARATING AGGREGATED PROTEINS FROM MONOMERIC PROTEINS IN A BIOLOGICAL SOLUTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-15 — — WO disclosed
Send feedback