SCHEMBL30548024

SCHEMBL30548024

Cc1cccc2c(Br)nn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
C5AR1 P21730 2/20 0.34
BCHE P06276 1/20 0.34
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
FAAH O00519 1/20 0.33
P2RX3 P56373 1/20 0.33
ELANE P08246 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.32
LMNA P02545 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL18128865 0.85 MAP2K4 (0.39) MAP2K4L3MBTL1BCHEFAAHP2RX3
SCHEMBL16149702 0.85 SCN9A (0.37) MAP2K4TSHRBCHESSTR4FAAH
SCHEMBL25292632 0.85 STS (0.37) MAP2K4TSHRBCHESSTR4FAAH
SCHEMBL30548011 0.85 STS (0.37) MAP2K4TSHRBCHESSTR4FAAH
SCHEMBL15719632 0.81 TDP1 (0.36) MAP2K4GAAMAPTTSHRL3MBTL1
SCHEMBL2674135 0.79 MAP2K4 (0.44) MAP2K4GAAL3MBTL1BCHEFAAH
SCHEMBL25703825 0.76 POLB (0.41) ELANEGPR119
SCHEMBL25244706 0.74 L3MBTL1 (0.43) GAAMAPTTSHRL3MBTL1BCHE
SCHEMBL8207359 0.73 SCN9A (0.40) MAP2K4L3MBTL1BCHESSTR4FAAH
SCHEMBL25769987 0.73 ELANE (0.40) GAAMAPTTSHRL3MBTL1ELANE

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
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed