SCHEMBL28037404

SCHEMBL28037404

N[C@H](C(=O)Nc1[c]cccc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.46
DPP4 P27487 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
METAP2 P50579 5/20 0.43
METAP1 P53582 2/20 0.43
GLS O94925 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40
ROCK2 O75116 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL694309 0.76 HPGD (0.58) SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL27150944 0.76 HTR1E (0.63) DPP8DPP4DPP9DPP7METAP2
Hydrochloric Acid SCHEMBL27150943 0.76 HTR1E (0.63) DPP8DPP4DPP9DPP7METAP2
SCHEMBL28037278 0.75 TAAR1 (0.50)
SCHEMBL8127206 0.75 TAAR1 (0.50)
SCHEMBL8127204 0.75 TAAR1 (0.50)
SCHEMBL3760383 0.75 KMT2A (0.59) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL3769622 0.74 HPGD (0.56) SMN1; SMN2LMNARAB9A
SCHEMBL28037694 0.73 TAAR1 (0.37) DPP8DPP4DPP9DPP7GLS
SCHEMBL6715808 0.72 KMT2A (0.67) KMT2AMEN1SMN1; SMN2HTTMAPT

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
CN-105164124-A Compounds and compositions for treating parasitic diseases NOVARTIS AG 2015-12-16 CN disclosed