SCHEMBL5822072

SCHEMBL5822072

O=C(c1cc(F)ccc1C(F)(F)F)N1CCN(c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ADRA1D P25100 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PARK7 Q99497 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DCTPP1 Q9H773 1/20 0.41

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
SCHEMBL5816189 0.91 SCD (0.46) SCDMEN1KMT2AADRA1DADRA1A
SCHEMBL5821234 0.91 SCD (0.58) SCDADRA1DADRA1AADRA1BHSD17B10
SCHEMBL5821470 0.88 SCD (0.48) SCDMEN1KMT2AGFERPARK7
SCHEMBL5821535 0.86 SCD (0.42) SCDMEN1KMT2AMAPK1USP2
SCHEMBL5816199 0.86 SCD (0.51) SCDMEN1KMT2AMAPK1USP2
SCHEMBL5821163 0.85 SCD (0.47) SCDMEN1KMT2AGFERMAPK1
SCHEMBL5818649 0.85 L3MBTL1 (0.48) SCDMEN1KMT2AMAPK1USP2
SCHEMBL5821745 0.85 SCD (0.42) SCDMEN1KMT2AMAPK1USP2
SCHEMBL5816215 0.82 HTT (0.48) SCDMEN1KMT2AMAPK1USP2
SCHEMBL5816957 0.82 SCD (0.55) SCDMEN1KMT2AADRA1DADRA1A

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-2006125180-A1 PIPERAZINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-11-23 — — WO disclosed
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