SCHEMBL25890745

SCHEMBL25890745

CON[C@@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.42
▸ PDE2A O00408 5/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CCR3 P51677 4/20 0.39
▸ TRPV3 Q8NET8 2/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.37

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
SCHEMBL25890713 0.81 SLC6A2 (0.50) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL25890717 0.80 MEN1 (0.51) MEN1LMNAKMT2ASLC6A3
SCHEMBL25890759 0.77 SLC6A3 (0.37) MEN1KMT2ASMN1; SMN2SLC6A3
SCHEMBL10006263 0.75 SLC6A3 (0.59) SLC6A3
SCHEMBL19650801 0.75 TRPV1 (0.43) TRPV1PDE2AMEN1LMNAHTT
SCHEMBL434632 0.74 PDE2A (0.46) TRPV1PDE2A
SCHEMBL25890774 0.73 SLC6A3 (0.47) MEN1KMT2ASLC6A3
SCHEMBL19650798 0.73 TRPV1 (0.43) TRPV1PDE2A
SCHEMBL26081058 0.71 DHODH (0.50) TRPV1PDE2AMEN1LMNAHTT
SCHEMBL454274 0.69 HTR2C (0.49) PDE2A

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-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 — — EP disclosed
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