SCHEMBL27772271

SCHEMBL27772271

CC1OCC(S)N(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC(=O)[C@@H]2CCCN2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.38
▸ CAPN1 P07384 2/20 0.36
▸ TRHR P34981 1/20 0.36
▸ PPM1B O75688 2/20 0.34

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
SCHEMBL27518093 0.78 TRHR (0.43) RENCAPN1TRHR
SCHEMBL27502009 0.76 REN (0.42) RENCAPN1TRHR
SCHEMBL27639586 0.76 TRHR (0.49) RENCAPN1TRHR
SCHEMBL27448784 0.76 TRHR (0.49) RENCAPN1TRHR
SCHEMBL21219553 0.76 REN (0.42) RENCAPN1TRHR
SCHEMBL21219550 0.74 TRHR (0.43) RENCAPN1TRHR
SCHEMBL27504185 0.74 TRHR (0.59) RENCAPN1TRHR
SCHEMBL27273945 0.71 CYP3A4 (0.50) REN
SCHEMBL29792521 0.70 EPHX2 (0.51) RENCAPN1TRHR
SCHEMBL31339177 0.70 EPHX2 (0.51) RENCAPN1TRHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101657715-B Detection system and uses therefor DIMERIX BIOSCIENCE PTY LTD 2012-07-25 — — CN disclosed
CN-101657715-A Detection system and uses therefor DIMERIX BIOSCIENCE PTY LTD AU 2010-02-24 — — CN disclosed
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