SCHEMBL7755039

SCHEMBL7755039

C=CCCC(=O)OCc1ccc(OC(=O)CCC=C)c(C(CC)c2cccc(N(C(C)C)C(C)C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ALOX15 P16050 2/20 0.31
PTGS1 P23219 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5088989 0.90 ALOX15 (0.41) CHRM2CHRM1ALOX15MEN1KMT2A
SCHEMBL7754999 0.82 CHRM2 (0.51) CHRM2CHRM1ALOX15KMT2A
SCHEMBL4661558 0.80 CHRM2 (0.48) CHRM2CHRM1ALOX15MEN1KMT2A
SCHEMBL2166654 0.80 CHRM2 (0.61) CHRM2CHRM1PTGS1
SCHEMBL15559016 0.79 THRA (0.34) CHRM2CHRM1PTGS1KMT2A
SCHEMBL3774216 0.79 AKR1C3 (0.33)
SCHEMBL4659057 0.77 CHRM2 (0.62) CHRM2CHRM1ALOX15KMT2A
SCHEMBL1158251 0.77 CHRM2 (0.62) CHRM2CHRM1ALOX15KMT2A
SCHEMBL6539682 0.76 CHRM2 (0.39) CHRM2CHRM1ALOX15PTGS1MEN1
SCHEMBL7755051 0.76 CHRM2 (0.39) CHRM2CHRM1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed