SCHEMBL22804491

SCHEMBL22804491

CC(C)(C)N(C(=O)O)c1ccc2ccccc2c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
PRNP P04156 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
WDR5 P61964 1/20 0.37
HPGD P15428 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LDHA P00338 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2558131 0.78 PKM (0.42) PRNPRXFP1LMNAALDH1A1KEAP1
SCHEMBL2399724 0.74 NCEH1 (0.49) NCEH1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL592773 0.73 EP300 (0.51) KEAP1NFE2L2LDHA
SCHEMBL16429292 0.72 TSHR (0.33) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL22805939 0.72 NCEH1 (0.31) NCEH1
SCHEMBL206372 0.72 MCL1 (0.58) RAB9AMAPTKDM4E
SCHEMBL28327542 0.71 POLB (0.50) NCEH1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL4154983 0.71 TRPM8 (0.41) MAPTRXFP1ALDH1A1KDM4EHSD17B10
SCHEMBL1648161 0.69 PTGDR2 (0.36) NCEH1POLBSMN1; SMN2MAPTPRNP
SCHEMBL27698980 0.69 RAB9A (0.39) NCEH1POLBSMN1; SMN2NPC1RAB9A

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-3986865-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS AnaMar AB (SE) 2022-04-27 EP disclosed
WO-2020254322-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2020-12-24 WO disclosed