SCHEMBL7013534

SCHEMBL7013534

O=C(Nc1c[c]ccc1)NC1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
EPHX1 P07099 7/20 0.55
EPHX2 P34913 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 7/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
FAAH O00519 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL751860 0.80 EPHX1 (0.57) RAB9AEPHX1EPHX2SMN1; SMN2NPC1
SCHEMBL15263046 0.79 EPHX1 (0.83) RAB9AEPHX1EPHX2SMN1; SMN2NPC1
SCHEMBL10825858 0.79 EPHX1 (0.83) RAB9AEPHX1EPHX2SMN1; SMN2NPC1
SCHEMBL2518709 0.78 SMN1; SMN2 (0.65) RAB9AEPHX1EPHX2SMN1; SMN2NPC1
SCHEMBL1921374 0.77 GAA (0.56) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL746119 0.76 ALDH1A1 (0.47) RAB9AEPHX1EPHX2SMN1; SMN2NPC1
SCHEMBL6756210 0.76 HPGD (0.45) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL6757892 0.76 HPGD (0.49) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL6282431 0.75 HPGD (0.51) RAB9AEPHX1EPHX2SMN1; SMN2NPC1
SCHEMBL5469269 0.75 EPHX1 (0.75) RAB9AEPHX1EPHX2SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed