SCHEMBL25404236

SCHEMBL25404236

Cc1cc(NCCC(=O)O)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPY2R P49146 1/20 0.45
GPR119 Q8TDV5 10/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL27039596 0.91 MEN1 (0.46) MEN1KMT2ANPY2RGPR119F13A1
SCHEMBL25404474 0.90 MEN1 (0.45) MEN1KMT2ANPY2RGPR119F13A1
SCHEMBL29157847 0.87 NPY2R (0.48) NPY2RGPR119MAPTNAMPTACHE
SCHEMBL25404333 0.84 GPR119 (0.48) MEN1KMT2AGPR119F13A1TGM2
SCHEMBL25404825 0.84 GPR119 (0.48) MEN1KMT2AGPR119F13A1TGM2
SCHEMBL25402776 0.83 MEN1 (0.43) MEN1KMT2ANPY2RGPR119F13A1
SCHEMBL30830549 0.83 GPR119 (0.53) MEN1KMT2AGPR119MAPTSMN1; SMN2
SCHEMBL14982163 0.81 MEN1 (0.50) MEN1KMT2ANPY2RGPR119F13A1
SCHEMBL22119644 0.80 DDB1 (0.56) MEN1KMT2AGPR119MAPTTSHR
SCHEMBL30703631 0.80 MAPT (0.46) MEN1KMT2ANPY2RGPR119F13A1

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-118742539-A Heterocyclic derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-10-01 CN disclosed
WO-2023169391-A1 HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-14 WO disclosed