SCHEMBL932704

SCHEMBL932704

CC(C)c1cccc(C(C)C)c1N=CCc1cccc(CC=Nc2c(C(C)C)cccc2C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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 SCHEMBL6909112 0.97 GABRA1 (0.33) GABRA1GABRG2GABRB3TSHRLMNA
Hydrochloric Acid SCHEMBL7764129 0.97 GABRA1 (0.33) GABRA1GABRG2GABRB3TSHRLMNA
Hydrochloric Acid SCHEMBL7149371 0.97 GABRA1 (0.33) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL18543890 0.93 TSHR (0.35) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL18544054 0.91 BACE1 (0.33) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL18543958 0.88 NR1I2 (0.32) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL6714487 0.85 BRD4 (0.35) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL5589655 0.84 PIP4K2C (0.38) GABRA1GABRG2GABRB3LMNACYP1A2
SCHEMBL6061919 0.84 NOS3 (0.37) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL8172159 0.84 KDM4E (0.41) LMNACYP1A2HPGDBLMHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135697-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2019-08-14 EP claimed
EP-2643329-A2 IN-SITU ACTIVATION OF METAL COMPLEXES USED AS HYDROSILYLATION CATALYSTS Momentive Performance Materials Inc. (US) 2013-10-02 EP disclosed
EP-2519485-A1 PRODUCING ALPHA-OLEFINS Dow Global Technologies LLC (US) 2012-11-07 EP disclosed
WO-2012071358-A2 IN-SITU ACTIVATION OF METAL COMPLEXES CONTAINING TERDENTATE NITROGEN LIGANDS USED AS HYDROSILYLATION CATALYSTS MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2012-05-31 WO disclosed
EP-2451820-A2 HYDROSILYLATION CATALYSTS Momentive Performance Materials Inc. (US) 2012-05-16 EP disclosed
WO-2011081650-A1 PRODUCING ALPHA-OLEFINS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-07-07 WO disclosed
WO-2011006044-A2 HYDROSILYLATION CATALYSTS MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-01-13 WO disclosed
EP-1320537-A1 CR COMPLEXES AND THEIR USE FOR THE POLYMERIZATION OF ALPHA-OLEFINS Université de Liège (BE) 2003-06-25 EP disclosed
WO-2002036643-A1 METHOD FOR POLYMERISING ALPHA-OLEFINS SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 2002-05-10 WO disclosed
WO-2002022628-A1 CR COMPLEXES AND THEIR USE FOR THE POLYMERIZATION OF ALPHA-OLEFINS UNIVERSITE DE LIEGE (BE) 2002-03-21 WO disclosed
WO-2000069869-A1 POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2000-11-23 WO disclosed