SCHEMBL7984936

SCHEMBL7984936

CC(C)(C)[C@]1(c2nc(CCc3cccnc3)no2)CCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FKBP1A P62942 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
TBXAS1 P24557 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL20164006 0.71 ALDH1A1 (0.43) EPHX1EPHX2ALDH1A1LMNAKDM4E
SCHEMBL20164004 0.71 ALDH1A1 (0.43) EPHX1EPHX2ALDH1A1LMNAKDM4E
SCHEMBL16933816 0.69 HCRTR1 (0.43) LMNAHPGD
SCHEMBL16933820 0.69 HCRTR1 (0.43) LMNAHPGD
SCHEMBL7561613 0.69 EPHX1 (0.45) EPHX1EPHX2FKBP1ATBXAS1
SCHEMBL17007540 0.67 LMNA (0.40) ALDH1A1LMNAHTTKMT2ARAB9A
SCHEMBL15913826 0.67 HCRTR1 (0.34)
SCHEMBL7984933 0.66 MAPT (0.46) ALDH1A1LMNAMAPTFKBP1AMEN1
SCHEMBL15913246 0.66 HCRTR1 (0.33)
SCHEMBL7995095 0.64 FKBP1A (0.57) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284779-B1 NERVOUS SYSTEM DISORDERS SCHERING AKTIIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
WO-2000046222-A1 HETEROAROMATIC COMPOUNDS WITH NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-10 WO disclosed