SCHEMBL1774131

SCHEMBL1774131

c1ccc(C(=C2CC2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.64
LMNA P02545 1/20 0.64
CHRM2 P08172 1/20 0.64
CYP2D6 P10635 1/20 0.64
CHRM1 P11229 1/20 0.64
CHRM3 P20309 1/20 0.64
HTR2A P28223 1/20 0.64
HRH1 P35367 1/20 0.64
HTR2B P41595 1/20 0.64
CHRNA4 P43681 1/20 0.64
HTR3A P46098 1/20 0.64
KCNH2 Q12809 1/20 0.64
OPRD1 P41143 3/20 0.43
OPRK1 P41145 2/20 0.43
OPRM1 P35372 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
DAO P14920 1/20 0.41

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
SCHEMBL180560 0.87 CHRM2 (0.57) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL9038594 0.83 HTR2A (0.53) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL2457390 0.83 OPRD1 (0.61) SETD7LMNACHRM2CYP2D6CHRM1
Bromide SCHEMBL10598951 0.81 OPRD1 (0.59) SETD7LMNACHRM2CYP2D6CHRM1
Hydrochloric Acid SCHEMBL7647391 0.81 OPRD1 (0.59) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL4079255 0.79 SETD7 (1.00) SETD7LMNACHRM2CYP2D6CHRM1
Diphemanil SCHEMBL30548127 0.79 LMNA (1.00) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL3084800 0.76 CHRM2 (0.47) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL21381596 0.76 LMNA (0.47) SETD7LMNACHRM2CYP2D6CHRM1
SCHEMBL24330976 0.75 LMNA (0.50) SETD7LMNACHRM2CYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796482-B1 CONFECTIONERY PRODUCT GUMLINK AS (DK) 2011-07-13 EP disclosed
US-20110111084-A1 Chewing Gum and Gum Base Comprising Styrene-Isoprene-Styrene Copolymers GUMLINK A/S (DK) 2011-05-12 US disclosed
CN-100512582-C Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-1898995-A Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2007-01-17 CN disclosed
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed