SCHEMBL7699423

SCHEMBL7699423

CN(C)c1ccc(-c2oc(-c3ccccc3-c3ccccc3)nc2C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.52
AVPR1A P37288 2/20 0.52
MAPT P10636 7/20 0.47
LMNA P02545 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4B Q07343 3/20 0.46
RECQL P46063 1/20 0.45
RAB9A P51151 2/20 0.45
OXTR P30559 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
PDE4D Q08499 2/20 0.43
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL7699217 0.79 MAPT (0.36) MAPTLMNAALDH1A1TSHRKMT2A
SCHEMBL7694348 0.79 HTR2C (0.38) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL7698082 0.78 AVPR1A (0.57) AVPR2AVPR1AMAPTLMNAALDH1A1
SCHEMBL7695160 0.78 MAPT (0.41) MAPTLMNAALDH1A1TSHRKMT2A
SCHEMBL7703801 0.78 L3MBTL1 (0.49) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL7698990 0.78 HTR2C (0.43) LMNAALDH1A1NPSR1KMT2AMEN1
SCHEMBL7698850 0.74 GPBAR1 (0.39) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL7699604 0.73 MAPT (0.47) MAPTLMNAALDH1A1TSHRKMT2A
SCHEMBL7699623 0.73 AVPR2 (0.46) AVPR2MAPTLMNAALDH1A1NPSR1
SCHEMBL7698114 0.72 MAPT (0.48) MAPTLMNAALDH1A1TSHRKMT2A

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