SCHEMBL8519231

SCHEMBL8519231

COc1ccc(C(C(N)=O)(C(C)C)N2C(=O)C(N)C(=O)N(c3cccnc3)c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MAPT P10636 5/20 0.35
TP53 P04637 3/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 1/20 0.33
CXCR3 P49682 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8405648 0.86 ALDH1A1 (0.33) GAAMAPTALDH1A1LMNARAB9A
SCHEMBL8406820 0.84 KMT2A (0.39) MAPTALDH1A1LMNANPSR1RAB9A
SCHEMBL7753002 0.81 CCKBR (0.37) GAAMAPTALDH1A1RAB9ACCKAR
SCHEMBL8401920 0.80 CCKBR (0.47) CCKARCCKBR
SCHEMBL8406772 0.80 POLB (0.33) ALDH1A1CCKARCCKBRPOLB
SCHEMBL8406839 0.77 CCKAR (0.44) GAAMAPTALDH1A1CCKARCCKBR
SCHEMBL8405727 0.75 BRD4 (0.38) MAPTTP53ALDH1A1HPGDTDP1
SCHEMBL8816172 0.75 KIF11 (0.35) MAPTALDH1A1LMNAHPGDCCKAR
SCHEMBL8803972 0.74 CCKAR (0.39) MAPTALDH1A1LMNARAB9ACCKAR
SCHEMBL8814705 0.74 CCKAR (0.49) GAAMAPTTP53ALDH1A1CCKAR

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
EP-0756602-B1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC (US) 1999-06-30 EP disclosed