SCHEMBL30912445

SCHEMBL30912445

CC(C)(C)OC(=O)N1C[C@H](F)[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.54
USP30 Q70CQ3 2/20 0.47
PDE4B Q07343 6/20 0.46
FPR2 P25090 3/20 0.46
FPR3 P25089 1/20 0.43
TACR1 P25103 2/20 0.42
NAMPT P43490 1/20 0.41
LIPE Q05469 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL19459113 1.00 RORC (0.54) RORCUSP30PDE4BFPR2FPR3
SCHEMBL31341952 0.89 RORC (0.48) RORCUSP30PDE4BFPR2FPR3
SCHEMBL27012379 0.89 RORC (0.48) RORCUSP30PDE4BFPR2FPR3
SCHEMBL29059260 0.89 RORC (0.48) RORCUSP30PDE4BFPR2FPR3
SCHEMBL24494926 0.89 RORC (0.48) RORCUSP30PDE4BFPR2FPR3
SCHEMBL24494925 0.89 RORC (0.48) RORCUSP30PDE4BFPR2FPR3
SCHEMBL29059278 0.89 RORC (0.48) RORCUSP30PDE4BFPR2FPR3
SCHEMBL30912573 0.87 RORC (0.54) RORCUSP30PDE4BTACR1NAMPT
SCHEMBL20148976 0.87 RORC (0.57) RORCUSP30PDE4BFPR2FPR3
SCHEMBL20149241 0.87 RORC (0.57) RORCUSP30PDE4BFPR2FPR3

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-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed