SCHEMBL31021995

SCHEMBL31021995

CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.63
ESR2 Q92731 3/20 0.58
MAPT P10636 1/20 0.47
P2RY14 Q15391 1/20 0.46
ESR1 P03372 2/20 0.46
ABHD6 Q9BV23 3/20 0.46
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
PTK2 Q05397 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
CCR2 P41597 1/20 0.43
MAPK1 P28482 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
ABCB1 P08183 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 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
SCHEMBL13718183 1.00 NR1H2 (0.63) NR1H2ESR2MAPTP2RY14ESR1
SCHEMBL31022135 0.95 ESR2 (0.65) NR1H2ESR2MAPTP2RY14ESR1
SCHEMBL13717406 0.87 UCHL1 (0.57) NR1H2ESR2P2RY14
SCHEMBL13717401 0.87 UCHL1 (0.57) NR1H2ESR2P2RY14
SCHEMBL7744185 0.87 NR1H2 (0.67) NR1H2ESR2ABHD6GPR119MAPK1
SCHEMBL25430802 0.86 NR1H2 (0.61) NR1H2ESR2MAPTESR1ABHD6
SCHEMBL30519086 0.86 NR1H2 (0.61) NR1H2ESR2MAPTESR1ABHD6
SCHEMBL27042724 0.86 ESR1 (0.48) NR1H2ESR2ESR1ABHD6CCR2
SCHEMBL1784590 0.84 NR1H2 (0.67) NR1H2ESR2MAPTESR1GPR119
SCHEMBL30752205 0.84 NR1H2 (0.52) NR1H2ESR2MAPTP2RY14JAK2

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-4654970-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-03 EP disclosed
WO-2024159079-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2024-08-02 WO disclosed