SCHEMBL23655437

SCHEMBL23655437

O=C(O)COCC1(F)CCN(c2cncc(N(C3=CCCC=C3)c3ccc(OC(F)(F)F)cc3)n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.32
▸ NR1H4 Q96RI1 2/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ CCR5 P51681 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MCHR1 Q99705 4/20 0.31
▸ PPARD Q03181 2/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL23655918 0.91 — —
SCHEMBL21258705 0.88 PTGIR (0.35) PTGIRNR1H4FFAR4CCR5MMP2
SCHEMBL21258972 0.79 CHRM4 (0.34) NR1H4CCR5MMP2MCHR1
SCHEMBL21258940 0.79 PTGIR (0.35) PTGIR
SCHEMBL21258676 0.78 PTGIR (0.38) PTGIR
SCHEMBL21258877 0.77 PTGIR (0.37) PTGIRNR1H4DRD3
SCHEMBL21258828 0.77 PTGIR (0.37) PTGIR
SCHEMBL21258693 0.76 PTGDR (0.33) PTGIRFFAR4
SCHEMBL21258660 0.75 LTC4S (0.33) PTGIRMCHR1
SCHEMBL23655443 0.74 PTGIR (0.35) PTGIR

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
EP-3851106-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST Chinese PLA General Hospital (CN) 2021-07-21 — — EP disclosed
Send feedback