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Sugi Predict / Compounds / SCHEMBL8990875

SCHEMBL8990875

SCHEMBL8990875

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3S[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.31
▸ AGTR1 P30556 1/20 0.30

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
SCHEMBL8990749 0.94 GHSR (0.31) GHSR
SCHEMBL8990978 0.94 GHSR (0.34) GHSR
SCHEMBL8990719 0.91 SMN1; SMN2 (0.34) GHSRAGTR1
SCHEMBL8991018 0.91 GHSR (0.35) GHSRAGTR1
SCHEMBL8990904 0.90 GHSR (0.42) GHSR
SCHEMBL8990943 0.90 FPR1 (0.34) GHSR
SCHEMBL8990793 0.90 GHSR (0.38) GHSRAGTR1
SCHEMBL8990892 0.89 ADRB2 (0.31) —
SCHEMBL8991081 0.88 GHSR (0.33) GHSR
SCHEMBL8990735 0.86 GHSR (0.44) GHSR

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
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 — — US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 — — US disclosed