SCHEMBL5601548

SCHEMBL5601548

c1ccc2c(c1)[N]C1=C2CCCC1C1CCCCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
NOS3 P29474 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
SCHEMBL5600259 1.00 NOS1 (0.36) NOS1NOS2MAPTHPGDSIGMAR1
SCHEMBL5602319 1.00 NOS1 (0.36) NOS1NOS2MAPTHPGDSIGMAR1
SCHEMBL5601788 1.00 NOS1 (0.36) NOS1NOS2MAPTHPGDSIGMAR1
SCHEMBL5602159 1.00 NOS1 (0.36) NOS1NOS2MAPTHPGDSIGMAR1
SCHEMBL5600387 1.00 NOS1 (0.36) NOS1NOS2MAPTHPGDSIGMAR1
SCHEMBL5603379 1.00 NOS1 (0.36) NOS1NOS2MAPTHPGDSIGMAR1
SCHEMBL5602459 0.98 NOS2 (0.35) NOS1NOS2MAPTHPGDSIGMAR1
SCHEMBL5603391 0.95 NOS2 (0.35) NOS1NOS2MAPTHPGDLMNA
SCHEMBL5603618 0.94 NOS1 (0.32) NOS1NOS2NOS3
SCHEMBL5603963 0.76 HRH3 (0.35) NOS1NOS2HPGDNOS3

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