Sugi Predict

Sugi Predict / Compounds / SCHEMBL9544626

SCHEMBL9544626

SCHEMBL9544626

NC(=O)C1CCC(=O)N1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.36
▸ TSHR P16473 2/20 0.34
▸ P2RX7 Q99572 6/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGER4 P35408 6/20 0.33
▸ PTGER3 P43115 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTGER2 P43116 3/20 0.32

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
SCHEMBL9383119 1.00 ACE (0.36) ACETSHRP2RX7KMT2APTGER4
SCHEMBL6694973 0.89 ACE (0.44) ACETSHRP2RX7KMT2AALDH1A1
SCHEMBL29150853 0.87 ACE (0.43) ACETSHRP2RX7KMT2AALDH1A1
SCHEMBL6705720 0.80 ACE (0.43) ACETSHRP2RX7KMT2AALDH1A1
SCHEMBL30684620 0.78 P2RX7 (0.37) ACEP2RX7KMT2A
SCHEMBL9543516 0.78 TSHR (0.36) ACETSHRKMT2APTGER4PTGER3
SCHEMBL9383161 0.78 TSHR (0.36) ACETSHRKMT2APTGER4PTGER3
SCHEMBL9382771 0.78 TSHR (0.36) ACETSHRKMT2APTGER4PTGER3
SCHEMBL9382253 0.77 PLA2G10 (0.39) P2RX7KMT2AALDH1A1
SCHEMBL9383235 0.77 PLA2G10 (0.39) P2RX7KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993009120-A1 PROCESS FOR THE PREPARATION OF CONDENSED IMIDAZOLES SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1993-05-13 — — WO disclosed