SCHEMBL22384154

SCHEMBL22384154

CCC1CCC(c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N5CCCC5C(=O)O)cc4)nc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.40
▸ ACE P12821 13/20 0.40
▸ ACE2 Q9BYF1 7/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MME P08473 1/20 0.37
▸ MMEL1 Q495T6 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
SCHEMBL17968956 1.00 PRCP (0.40) PRCPACEACE2TSHRMME
SCHEMBL17834707 1.00 PRCP (0.40) PRCPACEACE2TSHRMME
SCHEMBL17834562 1.00 PRCP (0.40) PRCPACEACE2TSHRMME
SCHEMBL17834573 0.94 ACE (0.42) PRCPACEACE2TSHRMME
SCHEMBL17834576 0.90 ACE (0.49) PRCPACEACE2TSHRMME
SCHEMBL15037081 0.89 ACE (0.46) PRCPACEACE2TSHRMME
SCHEMBL15037086 0.89 ACE (0.46) PRCPACEACE2TSHRMME
SCHEMBL17825447 0.88 KIFC1 (0.38) ACEACE2MME
SCHEMBL17834920 0.88 KIFC1 (0.38) ACEACE2MME
SCHEMBL17825449 0.88 KIFC1 (0.38) ACEACE2MME

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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