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Sugi Predict / Compounds / SCHEMBL8990819

SCHEMBL8990819

SCHEMBL8990819

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3C[C@@H](NC(=O)CC(C)CNC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.32
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ GHSR Q92847 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
SCHEMBL8990688 0.95 HDAC1 (0.31) PRMT5HDAC1HDAC7TACR1
SCHEMBL8990942 0.91 PRMT5 (0.38) PRMT5HDAC1HDAC7TACR1GHSR
SCHEMBL8990954 0.91 CCR3 (0.33) PRMT5HDAC1HDAC7TACR1
SCHEMBL8991043 0.90 AGTR1 (0.34) PRMT5
SCHEMBL8990995 0.88 — —
SCHEMBL8990980 0.86 PRMT5 (0.38) PRMT5HDAC1HDAC7TACR1
SCHEMBL8990867 0.86 CCR3 (0.34) HDAC1HDAC7TACR1
SCHEMBL8991074 0.85 AGTR1 (0.35) —
SCHEMBL8990744 0.83 GHSR (0.43) HDAC1HDAC7TACR1GHSR
SCHEMBL8990737 0.83 GHSR (0.43) HDAC1HDAC7TACR1GHSR

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 3 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 — — WO disclosed