SCHEMBL22618578

SCHEMBL22618578

CC(O)[C@@H]1NC(=O)C(CCCCN)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CCSSCCNC1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 14/20 0.56
▸ SSTR5 P35346 12/20 0.56
▸ SSTR4 P31391 14/20 0.54
▸ SSTR3 P32745 10/20 0.50
▸ SSTR1 P30872 4/20 0.50
▸ OXTR P30559 1/20 0.50
▸ CD2 P06729 1/20 0.48
▸ CD58 P19256 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL22618582 1.00 SSTR2 (0.56) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL23968133 1.00 SSTR2 (0.56) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL21312758 0.93 OXTR (0.58) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL22844368 0.93 OXTR (0.58) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL23968131 0.87 OXTR (0.59) SSTR2SSTR5OXTRCD2CD58
SCHEMBL22891909 0.87 OXTR (0.59) SSTR2SSTR5OXTRCD2CD58
SCHEMBL24348771 0.87 SSTR2 (0.51) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL18712557 0.87 SSTR2 (0.75) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL19542340 0.86 SSTR2 (0.74) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL19543950 0.83 SSTR2 (0.61) SSTR2SSTR5SSTR4SSTR3SSTR1

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-3455206-B1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS US HEALTH (US) 2020-11-04 — — EP disclosed
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