SCHEMBL22448959

SCHEMBL22448959

CNC(Cc1ccc(-c2ncc(-c3ccc(C(C)(C)C)cc3)cn2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MME P08473 7/20 0.45
▸ ACE2 Q9BYF1 6/20 0.45
▸ ACE P12821 5/20 0.45
▸ CPA1 P15085 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ XDH P47989 1/20 0.41
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ADCY6 O43306 1/20 0.40
▸ ADCY3 O60266 1/20 0.40
▸ ADCY9 O60503 1/20 0.40
▸ ADCY5 O95622 1/20 0.40
▸ ADCY8 P40145 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ ADCY7 P51828 1/20 0.40
▸ ADCY2 Q08462 1/20 0.40
▸ ADCY1 Q08828 1/20 0.40

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
SCHEMBL22449123 0.89 ITGB1 (0.48) MMEACE2ACECPA1ITGB1
SCHEMBL22449284 0.89 RXRA (0.47) ALDH1A1MAPTMMEACE2ACE
SCHEMBL15037189 0.88 MME (0.49) MMEACE2ACECPA1KDM4E
SCHEMBL22449277 0.88 MME (0.49) MMEACE2ACECPA1KDM4E
SCHEMBL15037300 0.86 MME (0.53) ALDH1A1MAPTMMEACE2ACE
SCHEMBL22448948 0.86 MME (0.53) ALDH1A1MAPTMMEACE2ACE
SCHEMBL22449043 0.86 MME (0.53) ALDH1A1MAPTMMEACE2ACE
SCHEMBL15037188 0.86 MME (0.53) ALDH1A1MAPTMMEACE2ACE
SCHEMBL15037208 0.85 PTPN1 (0.44) MMEACE2ACEITGB1ITGA4
SCHEMBL22448951 0.85 PTPN1 (0.46) ALDH1A1MAPTMMEACE2ACE

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
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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