SCHEMBL7984933

SCHEMBL7984933

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(CCc2cccnc2)no1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FKBP1A P62942 6/20 0.45
ALDH1A1 P00352 4/20 0.43
TSHR P16473 5/20 0.43
LMNA P02545 3/20 0.43
MTOR P42345 1/20 0.43
FKBP4 Q02790 1/20 0.43
FKBP5 Q13451 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
HCRTR2 O43614 1/20 0.41

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
SCHEMBL30147174 0.90 TSHR (0.49) MAPTNPSR1ALDH1A1TSHRLMNA
SCHEMBL29176585 0.86 EPHA2 (0.47) MAPTNPSR1ALDH1A1TSHRLMNA
SCHEMBL29176583 0.86 EPHA2 (0.47) MAPTNPSR1ALDH1A1TSHRLMNA
SCHEMBL7995090 0.85 FKBP1A (0.57) FKBP1AMTORFKBP4FKBP5
SCHEMBL7995095 0.85 FKBP1A (0.57) FKBP1AMTORFKBP4FKBP5
SCHEMBL30147124 0.84 ALDH1A1 (0.48) MAPTNPSR1FKBP1AALDH1A1TSHR
SCHEMBL30147182 0.81 EPHA2 (0.46) MAPTNPSR1FKBP1AALDH1A1TSHR
SCHEMBL15848655 0.81 HCRTR2 (0.60) HCRTR2
SCHEMBL15848653 0.81 HCRTR2 (0.60) HCRTR2
SCHEMBL7984949 0.79 FKBP1A (0.61) FKBP1AFKBP4FKBP5HCRTR2

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