SCHEMBL24201085

SCHEMBL24201085

CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)O)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C(=O)CNC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 2/20 0.38
CYP3A4 P08684 1/20 0.37
ACE P12821 7/20 0.36
CTSD P07339 2/20 0.35
CTSE P14091 2/20 0.35
BACE1 P56817 1/20 0.35
ACE2 Q9BYF1 4/20 0.34
MME P08473 3/20 0.34
CPA1 P15085 3/20 0.34
ANPEP P15144 2/20 0.34
LNPEP Q9UIQ6 2/20 0.34
FOLH1 Q04609 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAMP1 O60894 1/20 0.33
CALCRL Q16602 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL24837336 1.00 SSTR2 (0.38) SSTR2CYP3A4ACECTSDCTSE
SCHEMBL24837234 0.96 SSTR2 (0.39) SSTR2CYP3A4ACECTSDCTSE
SCHEMBL24201016 0.96 SSTR2 (0.39) SSTR2CYP3A4ACECTSDCTSE
SCHEMBL15811693 0.94 CYP3A4 (0.37) SSTR2CYP3A4ACECTSDCTSE
SCHEMBL19841574 0.94 CYP3A4 (0.37) SSTR2CYP3A4ACECTSDCTSE
SCHEMBL18602020 0.94 CYP3A4 (0.37) SSTR2CYP3A4ACECTSDCTSE
SCHEMBL22419930 0.94 CYP3A4 (0.37) SSTR2CYP3A4ACECTSDCTSE
SCHEMBL19393925 0.94 ACE (0.39) SSTR2CYP3A4ACEACE2MME
SCHEMBL23106010 0.92 SSTR2 (0.43) SSTR2CYP3A4ACECTSDCTSE
SCHEMBL23106012 0.92 SSTR2 (0.43) SSTR2CYP3A4ACECTSDCTSE

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-3388427-B1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PF MEDICAMENT (FR) 2022-01-19 EP disclosed