SCHEMBL9821295

SCHEMBL9821295

c1ccc(-c2nc3c(c(-c4ccccc4)n2)CCC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
THRB P10828 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
POLB P06746 1/20 0.48
PDE4B Q07343 1/20 0.47
IGF1R P08069 1/20 0.45

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
SCHEMBL29881705 1.00 LMNA (0.54) LMNAHTR2AHTR2CHTR2BTHRB
SCHEMBL9821258 0.82 ADORA2A (0.46) LMNAHTR2AHTR2CHTR2BTHRB
SCHEMBL14731126 0.81 LMNA (0.41) LMNAHTR2AHTR2CHTR2BTHRB
SCHEMBL4805235 0.81 LMNA (0.52) LMNATHRBL3MBTL1NPY1RNPY2R
SCHEMBL2273843 0.81 LMNA (0.52) LMNATHRBL3MBTL1NPY1RNPY2R
SCHEMBL4134361 0.81 ALDH1A1 (0.52) LMNATHRBL3MBTL1
SCHEMBL27013447 0.80 KMT2A (0.47) LMNATHRBL3MBTL1NPY1RNPY2R
SCHEMBL25100852 0.79 HTR2A (0.50) LMNAHTR2AHTR2CHTR2BL3MBTL1
SCHEMBL24819490 0.78 ALDH1A1 (0.46) LMNATHRB
SCHEMBL14722704 0.78 LMNA (0.44) LMNAHTR2AHTR2CHTR2BTHRB

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
JP-3148265-A None JP disclosed
CN-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed
JP-H03148265-A 5,7-DIPHENYL-4,6-DIAZAINDANE DERIVATIVE, PRODUCTION THEREOF AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1991-06-25 JP disclosed