Sugi Predict

Sugi Predict / Compounds / SCHEMBL14977972

SCHEMBL14977972

SCHEMBL14977972

C[C@H](O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 8/20 0.58
▸ OPRM1 P35372 2/20 0.36
▸ CASR P41180 1/20 0.35
▸ FCER2 P06734 1/20 0.35

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
SCHEMBL7066999 1.00 GHSR (0.58) GHSROPRM1CASRFCER2
SCHEMBL6326002 1.00 GHSR (0.58) GHSROPRM1CASRFCER2
SCHEMBL8484452 1.00 GHSR (0.58) GHSROPRM1CASRFCER2
SCHEMBL6326001 1.00 GHSR (0.58) GHSROPRM1CASRFCER2
SCHEMBL8205722 0.93 GHSR (0.51) GHSROPRM1CASR
SCHEMBL8205717 0.93 GHSR (0.51) GHSROPRM1CASR
SCHEMBL6325995 0.93 GHSR (0.54) GHSROPRM1CASRFCER2
SCHEMBL6319059 0.91 GHSR (0.61) GHSRFCER2
SCHEMBL6319056 0.91 GHSR (0.61) GHSRFCER2
SCHEMBL6324341 0.89 GHSR (0.59) GHSRFCER2

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
US-8450268-B2 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2013-05-28 — — US disclosed