SCHEMBL19485536

SCHEMBL19485536

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NCOCc4ccccc4)C(=O)N4CC(C(=O)OC(C)(C)C)C4)cc3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 4/20 0.42
▸ HRH1 P35367 4/20 0.42
▸ YAP1 P46937 3/20 0.38
▸ ACE P12821 1/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ ITGB1 P05556 2/20 0.37
▸ ITGA4 P13612 2/20 0.37
▸ PLG P00747 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ S1PR1 P21453 5/20 0.36
▸ S1PR3 Q99500 4/20 0.36
▸ S1PR5 Q9H228 4/20 0.36

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
SCHEMBL16305994 0.89 HRH2 (0.48) HRH2HRH1
SCHEMBL16294766 0.89 HRH2 (0.48) HRH2HRH1
SCHEMBL16295733 0.83 HRH2 (0.46) HRH2HRH1ACEMCL1ITGB1
SCHEMBL16295734 0.83 HRH2 (0.46) HRH2HRH1ACEMCL1ITGB1
SCHEMBL17994262 0.83 HRH2 (0.44) HRH2HRH1S1PR1S1PR3S1PR5
SCHEMBL16295824 0.82 ITGB3 (0.49) HRH2HRH1ITGB1ITGA4
SCHEMBL16295823 0.82 ITGB3 (0.49) HRH2HRH1ITGB1ITGA4
SCHEMBL16343092 0.80 ITGB3 (0.50) HRH2HRH1S1PR1S1PR3S1PR5
SCHEMBL16295738 0.80 ITGB3 (0.50) HRH2HRH1S1PR1S1PR3S1PR5
SCHEMBL22384134 0.80 HRH2 (0.44) HRH2HRH1ITGB1ITGA4S1PR1

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
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
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