SCHEMBL29285307

SCHEMBL29285307

CCCCCCCCCCCCCCCCc1ccc(CN)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.76
ESR1 P03372 2/20 0.63
ADRA2A P08913 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
TACR2 P21452 2/20 0.63
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
SHBG P04278 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
HSPD1 P10809 1/20 0.63
ADRB3 P13945 1/20 0.63
HTR2C P28335 1/20 0.63
HSPE1 P61604 1/20 0.63
HIF1A Q16665 1/20 0.63
TST Q16762 1/20 0.63

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
SCHEMBL4091747 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL393623 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL177190 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL2674306 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL395308 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL394553 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL920406 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL29038707 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL395434 0.98 HTR2A (0.72) HTR2AESR1ADRA2AADORA3TACR2
Hydrochloric Acid SCHEMBL1856278 0.95 HTR2A (0.69) HTR2AESR1ADRA2AADORA3TACR2

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
CN-118290954-B SBS-based modified emulsified asphalt and preparation method thereof 陕西交控公路沥青材料技术有限责任公司 2024-10-11 CN claimed
CN-118290954-A SBS-based modified emulsified asphalt and preparation method thereof 陕西交控公路沥青材料技术有限责任公司 2024-07-05 CN claimed
CN-118290954-B SBS-based modified emulsified asphalt and preparation method thereof 陕西交控公路沥青材料技术有限责任公司 2024-10-11 CN disclosed
CN-118290954-A SBS-based modified emulsified asphalt and preparation method thereof 陕西交控公路沥青材料技术有限责任公司 2024-07-05 CN disclosed