SCHEMBL13626316

SCHEMBL13626316

CC(=O)N[C@H](CN1CCCCC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.51
GPR88 Q9GZN0 1/20 0.51
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
OPRK1 P41145 3/20 0.47
CYP2D6 P10635 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47

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
SCHEMBL3225827 0.88 KMT2A (0.54) KMT2ANPC1ALDH1A1MEN1GPR88
SCHEMBL13626234 0.87 GAA (0.57) KMT2AALDH1A1MEN1GPR88POLB
SCHEMBL18197284 0.86 RAB9A (0.54) KMT2ANPC1ALDH1A1MEN1GPR88
SCHEMBL13136011 0.86 GPR88 (0.54) KMT2ANPC1ALDH1A1MEN1GPR88
SCHEMBL13626320 0.86 GPR88 (0.54) KMT2ANPC1ALDH1A1MEN1GPR88
SCHEMBL6927149 0.85 UGCG (0.49) KMT2ANPC1ALDH1A1GPR88
SCHEMBL12666561 0.85 NPC1 (0.49) KMT2ANPC1ALDH1A1MEN1GPR88
SCHEMBL10434764 0.84 NPC1 (0.55) KMT2ANPC1ALDH1A1MEN1GPR88
SCHEMBL28128070 0.84 NPC1 (0.55) KMT2ANPC1ALDH1A1MEN1GPR88
SCHEMBL20238273 0.83 RAB9A (0.50) KMT2ANPC1ALDH1A1MEN1GPR88

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
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed