SCHEMBL6568692

SCHEMBL6568692

CC(C)CCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.58
HTR2A P28223 7/20 0.58
SIGMAR1 Q99720 4/20 0.53
CYP3A4 P08684 2/20 0.50
HTR1A P08908 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
ADRA1A P35348 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 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
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
SCHEMBL6569660 0.95 SIGMAR1 (0.59) HRH1HTR2ASIGMAR1CYP3A4HTR1A
SCHEMBL28724658 0.87 SIGMAR1 (0.52) HRH1HTR2ASIGMAR1CYP3A4HTR1A
Hydrochloric Acid SCHEMBL11583520 0.86 HRH1 (0.63) HRH1HTR2ASIGMAR1CYP3A4HTR1A
SCHEMBL3644776 0.85 HRH1 (0.54) HRH1HTR2ASIGMAR1CYP3A4HTR1A
SCHEMBL10251920 0.82 AOC3 (0.58) ADRA2ALMNAALDH1A1ADRA2C
SCHEMBL9073997 0.82 HRH1 (0.71) HRH1HTR2ASIGMAR1HTR1AADORA3
SCHEMBL11583522 0.81 HRH1 (0.63) HRH1HTR2ASIGMAR1CYP3A4HTR1A
SCHEMBL11584939 0.81 HRH1 (0.69) HRH1HTR2ASIGMAR1CYP3A4HTR1A
SCHEMBL11871547 0.80 TSHR (0.41) HRH1HTR2ACYP3A4HTR1AADORA3
SCHEMBL11681727 0.80 TAAR1 (0.43) HRH1HTR2AADRA2ALMNAADRA2C

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
US-20240407250-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATOR MITSUBISHI CHEMICAL CORPORATION (JP) 2024-12-05 US disclosed
WO-2023153161-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICEELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE 三菱ケミカル株式会社 2023-08-17 WO disclosed
CN-103025333-A Compound, composition, and method for protecting skin from high energy visible light LIPO CHEMICALS INC 2013-04-03 CN disclosed
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed