SCHEMBL7698990

SCHEMBL7698990

CC1CCN(C(=O)c2nc(-c3ccccc3-c3ccccc3)oc2-c2ccc(N(C)C)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
ACHE P22303 1/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HSD11B1 P28845 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7699803 0.92 NPC1 (0.44) ACHEHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL7694348 0.87 HTR2C (0.38) HTR2CHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL7703801 0.86 L3MBTL1 (0.49) ALDH1A1TP53MEN1KMT2ATDP1
SCHEMBL7699217 0.86 MAPT (0.36) HTR2CHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL7695160 0.81 MAPT (0.41) HPGDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7698666 0.79 L3MBTL1 (0.44) HPGDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7699994 0.79 ATM (0.47) ALDH1A1SMN1; SMN2LMNAHTTTP53
SCHEMBL7696382 0.78 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL7699423 0.78 AVPR2 (0.52) ALDH1A1SMN1; SMN2LMNAHTTNPC1
SCHEMBL7698850 0.77 GPBAR1 (0.39) HPGDALDH1A1SMN1; SMN2NPC1RAB9A

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed