SCHEMBL6340409

SCHEMBL6340409

CCOCCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR5 P51681 11/20 0.39
CCR2 P41597 2/20 0.39
MAPT P10636 2/20 0.39
CCR3 P51677 1/20 0.39
CCR4 P51679 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR7 P32248 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6342677 0.95 MEN1 (0.43) MEN1KMT2ACCR5CCR2MAPT
SCHEMBL5654441 0.92 CCR5 (0.45) MEN1KMT2ACCR5CCR2MAPT
SCHEMBL6339452 0.91 MEN1 (0.42) MEN1KMT2ACCR5CCR2MAPT
SCHEMBL6341045 0.91 MEN1 (0.43) MEN1KMT2ACCR5CCR2MAPT
SCHEMBL6339035 0.91 MEN1 (0.51) MEN1KMT2AMAPTPOLBHTT
SCHEMBL6342839 0.86 MEN1 (0.39) MEN1KMT2ACCR5CCR2MAPT
SCHEMBL6344918 0.86 MEN1 (0.42) MEN1KMT2ACCR5CCR2MAPT
SCHEMBL6343228 0.86 MEN1 (0.41) MEN1KMT2ACCR5CCR2MAPT
SCHEMBL6342973 0.85 CCR5 (0.38) CCR5CCR2MAPTCCR3CCR4
SCHEMBL5655925 0.83 RARB (0.49) MEN1KMT2ACCR5CCR2MAPT

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
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed