SCHEMBL8120752

SCHEMBL8120752

C[C@@H](NC(=O)C[C@@H]1CCCN1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.45
PREP P48147 2/20 0.44
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL9115117 0.81 HTR2C (0.57) PREPATMHTR2CHTR2BCYP1A2
SCHEMBL8773337 0.81 HTR2C (0.57) PREPATMHTR2CHTR2BCYP1A2
SCHEMBL8773336 0.81 HTR2C (0.57) PREPATMHTR2CHTR2BCYP1A2
SCHEMBL8130548 0.81 HTR2C (0.57) PREPATMHTR2CHTR2BCYP1A2
SCHEMBL8130551 0.81 HTR2C (0.57) PREPATMHTR2CHTR2BCYP1A2
SCHEMBL8773325 0.81 HTR2C (0.57) PREPATMHTR2CHTR2BCYP1A2
SCHEMBL9038558 0.79 GLA (0.60) GHSRALDH1A1HTR2CHTR2B
SCHEMBL14131110 0.78 HTR2C (0.54) PREPATMHTR2CHTR2BCYP1A2
Hydrochloric Acid SCHEMBL5095147 0.77 HTR2C (0.53) PREPATMALDH1A1HTR2CHTR2B
SCHEMBL5193643 0.77 ALDH1A1 (0.54) MAPTALDH1A1HPGD

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
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed