SCHEMBL22791469

SCHEMBL22791469

COC(=O)CC12CC(NC(=O)c3n[nH]c4cccc(Cc5ccc(C(F)(F)F)cc5)c34)(C1)[C@H]2C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ CRHR1 P34998 2/20 0.33
▸ PTGER4 P35408 2/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTR1A P08908 2/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ HTR2A P28223 2/20 0.31
▸ FFAR2 O15552 1/20 0.31
▸ PTGER2 P43116 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30

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
SCHEMBL22791527 1.00 GSK3B (0.38) GSK3BCRHR1PTGER4OPRL1MAPK10
SCHEMBL22791540 0.92 GSK3B (0.36) GSK3BCRHR1PTGER4MAPK10HTR1A
SCHEMBL22776597 0.85 GSK3B (0.38) GSK3BCRHR1OPRL1MAPK10HTR1A
SCHEMBL29614550 0.85 GSK3B (0.38) GSK3BCRHR1OPRL1MAPK10HTR1A
SCHEMBL22791483 0.82 FPR1 (0.32) PTGER4OPRL1
SCHEMBL22791528 0.81 GSK3B (0.36) GSK3BCRHR1MAPK10HTR1ADRD2
SCHEMBL22791491 0.79 P2RX7 (0.37) OPRL1
SCHEMBL22791480 0.79 KDM4E (0.32) PTGER4OPRL1PTGER2
SCHEMBL22791354 0.78 YTHDC1 (0.46) GSK3BCRHR1MAPK10HTR1ADRD2
SCHEMBL22791280 0.78 P2RX7 (0.39) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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