SCHEMBL2732016

SCHEMBL2732016

[NaH].[NaH].c1ccc(C(CCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.65
HTR2A P28223 7/20 0.59
TAAR1 Q96RJ0 1/20 0.55
KCNH2 Q12809 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
SMPD1 P17405 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
CASR P41180 1/20 0.50

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
SCHEMBL3290730 0.97 HRH1 (0.68) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL844862 0.93 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL27321444 0.93 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL9073997 0.84 HRH1 (0.71) HRH1HTR2ATAAR1KCNH2CHRM2
SCHEMBL6053350 0.83 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL8217290 0.83 HRH1 (0.61) HRH1HTR2ATAAR1KCNH2CHRM2
SCHEMBL8753491 0.83 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL10537483 0.83 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL3644776 0.83 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL29723649 0.81 CNR1 (0.56) HRH1HTR2AKCNH2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459424-B Hydrogenated polymers having radial structure with calixarene-based core and their use in lubricant compositions 艾尼股份公司 2020-04-21 CN disclosed
EP-2632963-B1 HYDROGENATED STYRENE-BUTADIENE COPOLYMERS AND PROCESS FOR THEIR PREPARATION VERSALIS SPA (IT) 2015-08-05 EP disclosed
EP-2632963-A1 HYDROGENATED STYRENE-BUTADIENE COPOLYMERS AND PROCESS FOR THEIR PREPARATION versalis S.p.A. (IT) 2013-09-04 EP disclosed
WO-2012055802-A1 HYDROGENATED STYRENE-BUTADIENE COPOLYMERS AND PROCESS FOR THEIR PREPARATION POLIMERI EUROPA S.P.A. (IT) 2012-05-03 WO disclosed
US-4254238-A Hydrocarbon/ethylene oxide random graft copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-03 US disclosed