SCHEMBL8993454

SCHEMBL8993454

Cc1ccccc1[C@H]1C(=O)NN[C@@H]1c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 2/20 0.34
KCNH2 Q12809 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MMP13 P45452 1/20 0.34
CYP3A4 P08684 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HTR2C P28335 2/20 0.33
PBRM1 Q86U86 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8993511 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL8993508 0.66 IDO1 (0.46) SLC6A4MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL8993465 0.66 IDO1 (0.46) SLC6A4MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL24017025 0.66 MMP13 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8993638 0.64 GAA (0.37) SLC6A2SLC6A3GAAALDH1A1MAPT
SCHEMBL8846878 0.64 SMN1; SMN2 (0.53) SLC6A2SLC6A3MEN1KMT2ADDB1
SCHEMBL6555228 0.64 SMN1; SMN2 (0.53) SLC6A2SLC6A3MEN1KMT2ADDB1
SCHEMBL8846872 0.64 SMN1; SMN2 (0.53) SLC6A2SLC6A3MEN1KMT2ADDB1
SCHEMBL18025750 0.63 PDE4A (0.51) SLC6A2SLC6A4SLC6A3MAPTMMP13
Hydrochloric Acid SCHEMBL8993466 0.62 SMN1; SMN2 (0.52) SLC6A2SLC6A3MEN1KMT2ADDB1

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-5574169-A CHOLECYSTOKININ ANTAGONIST ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed