SCHEMBL31366924

SCHEMBL31366924

Cc1cc(CBr)ccc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
PTGS2 P35354 1/20 0.43
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
NMT1 P30419 1/20 0.39
PPARA Q07869 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PYCR1 P32322 1/20 0.36
RARB P10826 1/20 0.35
MAOB P27338 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
PPARG P37231 1/20 0.34
RORC P51449 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL11480904 0.89 RARB (0.39) PPARARARBPPARGRORCESR2
SCHEMBL16941050 0.85 PTGS1 (0.46) PTGS1PTGS2PDE3BPDE3ANMT1
SCHEMBL12603798 0.84 PTGS1 (0.44) PTGS1PTGS2PDE3BPDE3ANMT1
SCHEMBL12496670 0.82 LOXL2 (0.52) PTGS1PTGS2PDE3BPDE3AMAOB
SCHEMBL12050458 0.81 ESR2 (0.53) PPARARARBOXTRAVPR1APPARG
SCHEMBL31366931 0.81 ESR2 (0.53) PPARARARBOXTRAVPR1APPARG
SCHEMBL16941081 0.81 RARB (0.50) PTGS1PTGS2PDE3BPDE3APPARA
SCHEMBL3748937 0.78 PDE3B (0.46) PTGS2PDE3BPDE3ANMT1GRIN1
SCHEMBL23394399 0.78 PTPN5 (0.43) PTGS1PTGS2PPARAGRIN1GRIN2B
SCHEMBL22621148 0.78 RARB (0.51) PTGS1PTGS2PDE3BPDE3ARARB

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
CN-119487006-A Amide compounds as PGE2 receptor antagonists 广东新契生物医药科技有限公司 2025-02-18 CN disclosed