SCHEMBL5602729

SCHEMBL5602729

c1ccc2c(c1)[N]C1=C2C(C2CCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5601130 0.97 MAPT (0.39) MAPTHPGDNOS2NOS1DRD2
SCHEMBL5600340 0.95 MAPT (0.38) MAPTHPGDNOS2NOS1HTR2A
SCHEMBL5600716 0.95 MAPT (0.38) MAPTHPGDNOS2NOS1HTR2A
SCHEMBL5602448 0.95 MAPT (0.38) MAPTHPGDNOS2NOS1HTR2A
SCHEMBL5600361 0.95 MAPT (0.38) MAPTHPGDNOS2NOS1HTR2A
SCHEMBL5600195 0.95 MAPT (0.38) MAPTHPGDNOS2NOS1HTR2A
SCHEMBL5601869 0.95 MAPT (0.38) MAPTHPGDNOS2NOS1HTR2A
SCHEMBL5602985 0.95 MAPT (0.38) MAPTHPGDNOS2NOS1HTR2A
SCHEMBL5601216 0.93 MAPT (0.31) MAPTHPGDNOS2NOS3
SCHEMBL5604114 0.75 NOS3 (0.32) NOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed