SCHEMBL29588693

SCHEMBL29588693

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1cn(Cc2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.48
ANPEP P15144 1/20 0.44
OPRK1 P41145 1/20 0.43
TRHDE Q9UKU6 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LTA4H P09960 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
CTSD P07339 1/20 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
SCHEMBL6069460 0.84 CDK5 (0.47) TRHDECYP2C9CYP2C19LTA4H
SCHEMBL6527840 0.84 CDK5 (0.47) TRHDECYP2C9CYP2C19LTA4H
Hydrochloric Acid SCHEMBL7356305 0.83 CDK5 (0.46) TRHDECYP2C9CYP2C19LTA4H
Hydrochloric Acid SCHEMBL5997862 0.83 CDK5 (0.46) TRHDECYP2C9CYP2C19LTA4H
Hydrochloric Acid SCHEMBL6527843 0.83 CDK5 (0.46) TRHDECYP2C9CYP2C19LTA4H
Hydrochloric Acid SCHEMBL6527838 0.83 CDK5 (0.46) TRHDECYP2C9CYP2C19LTA4H
SCHEMBL23106759 0.81 BIRC2 (0.65) BIRC2ANPEPOPRK1ALDH1A1THRB
SCHEMBL29046832 0.81 BIRC2 (0.65) BIRC2ANPEPOPRK1ALDH1A1THRB
SCHEMBL10443850 0.81 BIRC2 (0.65) BIRC2ANPEPOPRK1ALDH1A1THRB
SCHEMBL10443852 0.81 BIRC2 (0.65) BIRC2ANPEPOPRK1ALDH1A1THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315978-A Method for synthesizing histrelin by solid-liquid method 湖南三太药业有限公司 2022-04-12 CN claimed
WO-2023030277-A1 METHOD FOR FULLY LIQUID-PHASE SYNTHESIS OF GRNH NONAPEPTIDE AMIDE ANALOG 湖南微肽生物医药有限公司 2023-03-09 WO disclosed
CN-114315978-A Method for synthesizing histrelin by solid-liquid method 湖南三太药业有限公司 2022-04-12 CN disclosed
CN-114315978-A Method for synthesizing histrelin by solid-liquid method 湖南三太药业有限公司 2022-04-12 CN disclosed