SCHEMBL29630612

SCHEMBL29630612

O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.53
TERT O14746 1/20 0.49
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
HDAC1 Q13547 1/20 0.44
CALCRL Q16602 1/20 0.43
REN P00797 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
OPRD1 P41143 2/20 0.42
MMP1 P03956 1/20 0.42
FCER2 P06734 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MME P08473 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
SCHEMBL10791014 0.91 CTSC (0.60) CTSCHTR2CHTR2BHDAC1CALCRL
SCHEMBL10790985 0.91 CTSC (0.60) CTSCHTR2CHTR2BHDAC1CALCRL
SCHEMBL29590710 0.91 OPRD1 (0.49) CTSCTERTCALCRLRENCTSB
SCHEMBL30487449 0.89 CTSC (0.57) CTSCTERTHTR2CHTR2BHDAC1
SCHEMBL30052990 0.89 CTSC (0.57) CTSCTERTHTR2CHTR2BHDAC1
SCHEMBL29630530 0.87 CTSC (0.51) CTSCTERTHTR2CHTR2BCALCRL
SCHEMBL29630395 0.87 CTSC (0.51) CTSCTERTHTR2CHTR2BCALCRL
SCHEMBL464708 0.86 CTSC (0.48) CTSCTERTRENCTSBOPRD1
SCHEMBL30487484 0.84 HTR2C (0.53) CTSCTERTHTR2CHTR2BKDM4E
SCHEMBL29630597 0.83 TERT (0.47) CTSCTERTHTR2CHTR2BHDAC1

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-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed