SCHEMBL29958699

SCHEMBL29958699

O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)O)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.55
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MME P08473 6/20 0.54
ACE P12821 5/20 0.54
CPA1 P15085 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
CA2 P00918 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CTSB P07858 1/20 0.49
ALB P02768 1/20 0.49
IL2 P60568 1/20 0.49
MC4R P32245 2/20 0.49
MC3R P41968 2/20 0.49
MC1R Q01726 2/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
PIN1 Q13526 2/20 0.48

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
SCHEMBL10054043 0.89 CAPN1 (0.57) CAPN1SLC6A2SLC6A4SLC6A3CTSB
SCHEMBL2633261 0.87 LMNA (0.68) CAPN1LMNATDP1MMEITGB3
SCHEMBL14527567 0.86 FCER2 (0.52) CAPN1CTSBMC4RMC3RMC1R
SCHEMBL14527561 0.85 BDKRB2 (0.49) CAPN1MMEACECPA1ACE2
SCHEMBL26993357 0.85 LMNA (0.77) CAPN1LMNATDP1MMEACE
SCHEMBL14527547 0.85 CAPN1 (0.58) CAPN1CTSBMC4RMC3RMC1R
SCHEMBL14527656 0.85 PLG (0.53) CAPN1CTSBMC4RMC3RMC1R
SCHEMBL14527548 0.85 CAPN1 (0.48) CAPN1MMEACECPA1ACE2
SCHEMBL14288708 0.85 CAPN1 (0.48) CAPN1MMEACECPA1ACE2
SCHEMBL14527603 0.83 CAPN1 (0.54) CAPN1LMNACTSBMC4RMC3R

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-20230330187-A1 USE OF GHRELIN OR GHRELIN VARIANT FOR INCREASING DOSE INTENSITY OF CHEMOTHERAPEUTIC AGENTS IN PATIENTS WITH CANCER OXEIA BIOPHARMACEUTICALS INC (US) 2023-10-19 US disclosed
WO-2022226116-A1 GHRELIN TREATMENT OF BRAIN DYSFUNCTION DUE TO VIRAL INFECTION OXEIA BIOPHARMACEUTICALS, INC. (US) 2022-10-27 WO disclosed