SCHEMBL6377331

SCHEMBL6377331

CCc1cccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2C P28335 1/20 0.46
KIF11 P52732 3/20 0.45
TAAR1 Q96RJ0 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44
IDO1 P14902 2/20 0.43
TP53 P04637 1/20 0.41
ACP3 P15309 1/20 0.41
MIF P14174 2/20 0.40
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16105797 0.83 HTR2A (0.46) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL5358396 0.83 HTR2A (0.46) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL14339435 0.83 KIF11 (0.47) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL46757 0.83 HTR2A (0.63) HTR2AHTR2BHTR2CTAAR1SIGMAR1
SCHEMBL10233507 0.82 HTR2A (0.44) HTR2AHTR2BHTR2CKIF11TAAR1
Ammonia Solution, Strong SCHEMBL266843 0.81 HTR2A (0.61) HTR2AHTR2BHTR2CTAAR1SIGMAR1
SCHEMBL20811436 0.81 HTR2A (0.47) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL17805427 0.81 HTR2A (0.47) HTR2AHTR2BHTR2CKIF11TAAR1
SCHEMBL128188 0.80 RORC (0.50) HTR2AHTR2BHTR2C
SCHEMBL23749962 0.79 HTR2A (0.47) HTR2AHTR2BHTR2CKIF11TAAR1

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
EP-1548023-B1 Transition metal compound, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2013-08-14 EP disclosed
EP-1548037-A2 Random propylene-ethylene copolymers Basell Polyolefine GmbH (DE) 2005-06-29 EP disclosed