SCHEMBL7985451

SCHEMBL7985451

COC(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.53
NPY2R P49146 3/20 0.53
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
RBP4 P02753 1/20 0.47
CYP3A4 P08684 1/20 0.47
SLC9A1 P19634 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7971528 0.91 KMT2A (0.66) ALDH1A1KMT2AMEN1NPY2RMAPT
SCHEMBL7982405 0.86 KMT2A (0.53) ALDH1A1KMT2AMEN1NPY2RMAPT
SCHEMBL7985330 0.85 NPY2R (0.57) ALDH1A1KMT2AMEN1NPY2RMAPT
SCHEMBL7982517 0.85 RBP4 (0.54) ALDH1A1KMT2ANPY2RLMNAHTT
SCHEMBL7985106 0.84 NPY2R (0.56) ALDH1A1KMT2AMEN1NPY2RMAPT
SCHEMBL7985104 0.84 TSHR (0.58) ALDH1A1KMT2AMEN1NPY2RMAPT
SCHEMBL4278043 0.83 WDR5 (0.52) ALDH1A1MAPTHPGDNPSR1SMN1; SMN2
SCHEMBL1480130 0.83 NOTUM (0.46) ALDH1A1KMT2AMEN1NPY2RMAPT
SCHEMBL7982477 0.83 SLC9A1 (0.69) ALDH1A1KMT2ANPY2RRBP4CYP3A4
SCHEMBL7971257 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTLMNA

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
US-6323207-B1 TREATMENT OR REDUCTION OF TISSUE DAMAGE DUE TO ISCHAEMIA WHICH COMPRISES ADMINISTERING TO A HOST SUFFERING FROM ISCHAEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-27 US disclosed