SCHEMBL10902001

SCHEMBL10902001

CC(C)CC(CNCC(=O)OC(C)(C)C)NC[C@@H]1CCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPNPEP1 Q9NQW7 1/20 0.39
KMT2A Q03164 1/20 0.38
DPP4 P27487 3/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
FAP Q12884 3/20 0.31
PREP P48147 2/20 0.31
OPRD1 P41143 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
RAB9A P51151 1/20 0.31
CNR2 P34972 1/20 0.31
MLYCD O95822 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10902010 1.00 XPNPEP1 (0.39) XPNPEP1KMT2ADPP4DPP8DPP9
SCHEMBL10903553 0.86 XPNPEP1 (0.44) XPNPEP1DPP4DPP8DPP9DPP7
SCHEMBL10903555 0.86 XPNPEP1 (0.44) XPNPEP1DPP4DPP8DPP9DPP7
SCHEMBL10904217 0.83 KMT2A (0.37) XPNPEP1KMT2ADPP4DPP8DPP9
SCHEMBL10904218 0.83 KMT2A (0.37) XPNPEP1KMT2ADPP4DPP8DPP9
SCHEMBL25221067 0.82 SMN1; SMN2 (0.40) KMT2ADPP4DPP8DPP9SMN1; SMN2
SCHEMBL25293272 0.82 SMN1; SMN2 (0.40) KMT2ADPP4DPP8DPP9SMN1; SMN2
SCHEMBL10903608 0.82 KMT2A (0.46) KMT2ASMN1; SMN2POLB
SCHEMBL10903604 0.82 KMT2A (0.46) KMT2ASMN1; SMN2POLB
SCHEMBL10904118 0.78 KMT2A (0.46) XPNPEP1KMT2ADPP4DPP8DPP9

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-4596819-A Antidepressive agents WARNER-LAMBERT COMPANY (US) 1986-06-24 US disclosed