SCHEMBL31409437

SCHEMBL31409437

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 17/20 0.59
▸ OPRD1 P41143 1/20 0.55
▸ NPY4R P50391 3/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ NPY2R P49146 2/20 0.53
▸ NPY5R Q15761 2/20 0.53

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
SCHEMBL31409435 0.97 KISS1R (0.59) KISS1ROPRD1
SCHEMBL31258238 0.95 KISS1R (0.57) KISS1ROPRD1
SCHEMBL31554790 0.86 NPY4R (0.62) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30769622 0.86 OPRK1 (0.56) KISS1ROPRD1NPY4RNPY1RNPY2R
SCHEMBL30633119 0.86 BACE1 (0.61) NPY4RNPY1RNPY2R
SCHEMBL30880909 0.85 KISS1R (0.60) KISS1ROPRD1
SCHEMBL30051484 0.85 OPRK1 (0.55) NPY4RNPY1RNPY2R
SCHEMBL29798061 0.85 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31031534 0.84 NPY1R (0.54) NPY4RNPY1RNPY2R
SCHEMBL29798338 0.84 BACE1 (0.63) —

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
CN-119607209-A Method for improving high altitude hypertension by GsMTx-4 compound 中国人民解放军总医院 2025-03-14 — — CN disclosed
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