SCHEMBL5315461

SCHEMBL5315461

COc1cc(CNCCCNC(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.67
MTNR1A P48039 2/20 0.65
MTNR1B P49286 2/20 0.65
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
PKM P14618 1/20 0.61
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 2/20 0.57
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
HTR1A P08908 1/20 0.57
HTR7 P34969 1/20 0.57
HTR6 P50406 1/20 0.57
ALDH1A1 P00352 2/20 0.56
SLC2A1 P11166 1/20 0.56
NLRP3 Q96P20 1/20 0.54

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
SCHEMBL5113589 0.93 BCHE (0.69) BCHEMTNR1AMTNR1BRAB9ANPC1
SCHEMBL5120825 0.91 BCHE (0.55) BCHEMTNR1AMTNR1BRAB9ANPC1
Hydrochloric Acid SCHEMBL4949263 0.84 BCHE (0.77) BCHERAB9ANPC1PKMLMNA
SCHEMBL5113660 0.84 BCHE (0.57) BCHEMTNR1AMTNR1BRAB9ANPC1
SCHEMBL3457501 0.82 HTT (0.65) BCHERAB9ANPC1PKMLMNA
SCHEMBL6136381 0.82 BCHE (0.64) BCHEMTNR1AMTNR1BRAB9ANPC1
SCHEMBL3051565 0.81 LMNA (0.74) BCHERAB9ANPC1PKMLMNA
SCHEMBL3458474 0.81 KMT2A (0.70) BCHERAB9ALMNAHTTKDM4E
SCHEMBL14078228 0.81 BCHE (0.62) BCHEMTNR1AMTNR1BRAB9ANPC1
SCHEMBL9416614 0.80 LMNA (0.73) BCHERAB9ANPC1PKMLMNA

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-2007080109-A1 SUBSTITUDED BENZYLOXY-PHENYLMETHYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed