SCHEMBL18176041

SCHEMBL18176041

COC(=O)CC(N)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
STAT6 P42226 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL3283890 1.00 KCNA5 (0.52) KCNA5SMN1; SMN2MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL3283896 0.98 KCNA5 (0.51) KCNA5SMN1; SMN2MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL3283886 0.98 KCNA5 (0.51) KCNA5SMN1; SMN2MEN1GAAKMT2A
SCHEMBL1051978 0.86 SMN1; SMN2 (0.41) KCNA5SMN1; SMN2MEN1GAAKMT2A
SCHEMBL1077616 0.85 SMN1; SMN2 (0.55) KCNA5SMN1; SMN2MEN1GAAKMT2A
SCHEMBL1051991 0.85 SMN1; SMN2 (0.55) KCNA5SMN1; SMN2MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL5742023 0.84 SMN1; SMN2 (0.53) KCNA5SMN1; SMN2MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7321879 0.84 SMN1; SMN2 (0.53) KCNA5SMN1; SMN2MEN1GAAKMT2A
SCHEMBL30915255 0.84 CYP2C19 (0.42) KCNA5SMN1; SMN2MEN1GAAKMT2A
SCHEMBL19410196 0.84 CYP2C19 (0.42) KCNA5SMN1; SMN2MEN1GAAKMT2A

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-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed