SCHEMBL30633009

SCHEMBL30633009

CC1C(=O)Cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.59
HTR2A P28223 8/20 0.45
HRH1 P35367 5/20 0.41
CYP1A2 P05177 1/20 0.41
HTR2C P28335 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2187484 1.00 ANPEP (0.59) ANPEPHTR2AHRH1CYP1A2HTR2C
SCHEMBL7196336 0.92 CYP1A2 (0.56) ANPEPHTR2AHRH1CYP1A2HTR2C
SCHEMBL14169990 0.84 ANPEP (0.47) ANPEPHTR2ACYP1A2ACHE
SCHEMBL11144393 0.83 CYP1A2 (0.58) ANPEPHTR2AHRH1CYP1A2HTR2C
SCHEMBL9633656 0.81 HTR2A (0.58) ANPEPHTR2AHRH1HTR2CHDAC4
SCHEMBL948086 0.81 ACP3 (0.46) ANPEPHTR2AHRH1HTR2CACHE
SCHEMBL17070963 0.81 ANPEP (0.57) ANPEPHTR2AHRH1CYP1A2HTR2C
SCHEMBL22879435 0.76 BCHE (0.47) ANPEPHTR2AHRH1ACHE
SCHEMBL7127466 0.76 ANPEP (0.61) ANPEPHTR2AHRH1CYP1A2HTR2C
SCHEMBL10343010 0.75 ACHE (0.55) ANPEPCYP1A2ACHE

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
CN-119497712-A Indane derivatives as MALT1 inhibitors 希四克斯探索有限公司 2025-02-21 CN disclosed
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 WO disclosed