SCHEMBL7815529

SCHEMBL7815529

C[C@@H]1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.63
TNF P01375 1/20 0.58
IDO1 P14902 2/20 0.57
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57
CYP3A4 P08684 1/20 0.57
THRB P10828 1/20 0.57
RIPK1 Q13546 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TACR1 P25103 2/20 0.55
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
TACR2 P21452 4/20 0.52

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
SCHEMBL7827097 1.00 KMT2A (0.68) KMT2AMEN1L3MBTL1TNFIDO1
SCHEMBL12368076 0.85 KMT2A (0.60) KMT2AMEN1L3MBTL1IDO1MAPT
SCHEMBL9027299 0.83 IDO1 (0.62) KMT2AMEN1L3MBTL1TNFIDO1
SCHEMBL5760263 0.83 MMP1 (0.54) CYP3A4ALDH1A1POLB
SCHEMBL3557914 0.83 MMP1 (0.54) CYP3A4ALDH1A1POLB
SCHEMBL3556442 0.83 MMP1 (0.54) CYP3A4ALDH1A1POLB
SCHEMBL9026879 0.83 KMT2A (0.57) KMT2AMEN1L3MBTL1TNFIDO1
SCHEMBL9026715 0.83 KMT2A (0.57) KMT2AMEN1L3MBTL1TNFIDO1
SCHEMBL13879449 0.81 KMT2A (1.00) KMT2AMEN1L3MBTL1TNFIDO1
SCHEMBL17867293 0.80 TACR2 (0.72) KMT2AMEN1IDO1TACR2

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-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 EP disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed