SCHEMBL6789626

SCHEMBL6789626

CCCCCCCCCN(c1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
KCNH2 Q12809 6/20 0.44
SIGMAR1 Q99720 2/20 0.41
TACR1 P25103 1/20 0.39
ICMT O60725 2/20 0.38
ALB P02768 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL27533268 1.00 NPC1 (0.46) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL18560078 0.93 NR1H2 (0.42) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL6792543 0.89 TP53 (0.39) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL5715726 0.86 NPC1 (0.44) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL5715943 0.86 NPC1 (0.44) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL7038494 0.81 NPC1 (0.45) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL6793642 0.79 NR1H2 (0.43) NPC1JAK2RAB9APAX8NR1H2
SCHEMBL5715840 0.78 NPC1 (0.38) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL1258398 0.77 TSHR (0.42) KCNH2NR1H2NR1H3OPRM1DRD3
SCHEMBL27283717 0.76 NPC1 (0.41) NPC1JAK2RAB9APAX8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822057-B2 OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG EXXON MOBIL CHEMICAL PATENTS INC. 2004-11-23 US disclosed
US-6489480-B2 COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2002-12-03 US disclosed
US-20020115806-A1 Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-22 US disclosed
US-20020111265-A1 GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-15 US disclosed