SCHEMBL7853550

SCHEMBL7853550

C=CCOc1cccc2c1CCC(=O)N2c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.45
▸ ADRA2B P18089 2/20 0.45
▸ ADRA2C P18825 2/20 0.45
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ LIG1 P18858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SETDB1 Q15047 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HTR1A P08908 1/20 0.35

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
Hydrochloric Acid SCHEMBL28979266 0.75 AOC3 (0.51) MAPK1
SCHEMBL97167 0.72 KMT2A (0.47) KMT2AMEN1MAPK1HPGDALDH1A1
SCHEMBL7856800 0.70 KMT2A (0.40) KMT2AMEN1HPGDCYP3A4KDM4E
SCHEMBL30462587 0.70 ADRA2A (0.50) ADRA2AADRA2BADRA2CMAPK1HPGD
SCHEMBL3994512 0.70 ADRA2A (0.50) ADRA2AADRA2BADRA2CMAPK1HPGD
SCHEMBL11112128 0.69 ADRA2A (0.43) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL9321659 0.68 MGLL (0.56) ADRA2AADRA2BADRA2CMAPK1HPGD
SCHEMBL10569169 0.68 SMN1; SMN2 (0.40) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL11434198 0.67 MEN1 (0.44) KMT2AMEN1MAPK1HPGDPOLB
SCHEMBL11437152 0.66 SMN1; SMN2 (0.45) ADRA2AADRA2BADRA2CKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1084330-C Cydic amide derivatives OTSUKA PHARMA CO LTD (JP) 2002-05-08 — — CN disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 — — EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 — — US disclosed
CN-1130377-A Cyclic amide derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-04 — — CN disclosed
Send feedback