SCHEMBL128570

SCHEMBL128570

OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.56
TRPA1 O75762 1/20 0.54
HTR2A P28223 6/20 0.52
TAAR1 Q96RJ0 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CNR1 P21554 2/20 0.45
EPHX2 P34913 1/20 0.45
CNR2 P34972 1/20 0.45
KCNH2 Q12809 2/20 0.45
CYP3A4 P08684 2/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
SMPD1 P17405 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL28849214 0.97 HRH1 (0.54) HRH1TRPA1HTR2ATAAR1MTNR1A
SCHEMBL5604418 0.89 LMNA (0.53) HRH1TRPA1HTR2ATAAR1MTNR1A
SCHEMBL5490855 0.89 CHRNB2 (0.57) HRH1TRPA1HTR2ACYP3A4SLC6A2
SCHEMBL6699187 0.87 CYP19A1 (0.49) HRH1TRPA1HTR2ACNR2LMNA
SCHEMBL27468204 0.87 CNR1 (0.54) HRH1TRPA1HTR2AMTNR1AMTNR1B
Furan SCHEMBL28266251 0.87 HRH1 (0.45) HRH1TRPA1HTR2ATAAR1MTNR1A
SCHEMBL9874670 0.87 SLC6A2 (0.57) HRH1TRPA1HTR2AEPHX2SLC6A2
SCHEMBL7548509 0.85 CHRNB2 (0.54) HRH1TRPA1HTR2ACYP3A4SLC6A2
Nitric Acid SCHEMBL9875712 0.85 GSR (0.49) HRH1TRPA1HTR2AMTNR1AMTNR1B
SCHEMBL4575392 0.84 HRH1 (0.60) HRH1TRPA1HTR2ATAAR1MTNR1A

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 404 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118725925-A Environment-friendly emulsified fuel and preparation method thereof 本合(天津)科技有限公司 2024-10-01 CN claimed
CN-115322345-A High-molecular-weight poly-delta-caprolactone and preparation method and application thereof 南京先进生物材料与过程装备研究院有限公司 2022-11-11 CN claimed
CN-114561093-A Low-viscosity polycaprolactone composite material 上海医妃医药科技有限公司 2022-05-31 CN claimed
CN-113943317-A Preparation method of MeCBS solid 大连双硼医药化工有限公司 2022-01-18 CN claimed
CN-105622501-B N- aryl -3- iodoquinoline derivative and preparation method thereof 皖南医学院 2019-02-19 CN claimed
CN-108129269-A The method of 1,3- diphenyl -1- propyl alcohol and nitromethane synthesis 1,3- diphenyl -1- propyl alcohol 湖北远大富驰医药化工股份有限公司 2018-06-08 CN claimed
CN-108017518-A 1,3- diphenyl -1- propyl alcohol and preparation method thereof 湖北远大富驰医药化工股份有限公司 2018-05-11 CN claimed
CN-105594714-A Insecticide for preventing houseflies YANTAI MILUOKA CHEMICAL TECH CO LTD 2016-05-25 CN claimed
US-RE40851-E1 3,3-diphenylpropylamines, their use and preparation PFIZER HEALTH AB (SE) 2009-07-14 US claimed
US-RE39667-E1 3,3-Diphenylpropylamines, their use and preparation PFIZER HEALTH AB (SE) 2007-05-29 US claimed
US-5559269-A ANTICHOLINERGIC AGENTS PHARMACIA AB (SE) 1996-09-24 US claimed
US-5487848-A Preparation of difunctional initiators for anionic polymerization XEROX CORPORATION (US) 1996-01-30 US claimed
EP-0674232-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 EP claimed
EP-0667852-A1 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-08-23 EP claimed
WO-1994011337-A9 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION 1995-07-06 WO claimed
WO-1994011337-A1 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION PHARMACIA AB (SE) 1994-05-26 WO claimed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP claimed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP claimed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO claimed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP claimed