SCHEMBL3721739

SCHEMBL3721739

C=C(C)c1ccc(N2CC[N]C(CC)C2)c(C(C)(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
TSHR P16473 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
SCHEMBL3722493 0.79 CRHR1 (0.31) RBP4
SCHEMBL3727439 0.79 RBP4 (0.36) RBP4ALDH1A1MEN1KMT2AMAPT
SCHEMBL766232 0.73 RBP4 (0.40) RBP4ALDH1A1MEN1KMT2ANPSR1
SCHEMBL631287 0.69 RBP4 (0.34) RBP4ALDH1A1MEN1KMT2ANPSR1
SCHEMBL766210 0.68 RBP4 (0.61) RBP4ALDH1A1MEN1KMT2ARARA
SCHEMBL631288 0.67 PKM (0.50) RBP4ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1858795 0.61 RARA (0.48) RBP4MAPTRARARARBRARG
SCHEMBL22240241 0.61 HPGD (0.35) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL7915750 0.60 ALDH1A1 (0.55) ALDH1A1NPSR1MAPTRARARARB
SCHEMBL19289494 0.60 HSP90AA1 (0.37) ALDH1A1MAPTHSP90AA1HSP90AB1TSHR

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-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 WO disclosed