SCHEMBL9720720

SCHEMBL9720720

CCCCN(CCCC)Cc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
HRH3 Q9Y5N1 1/20 0.53
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL1206711 0.88 HRH3 (0.69) MAPTHRH3ESR1ADRA2AADORA3
SCHEMBL16421915 0.83 MAPT (0.71) MAPTHRH3KDM4EALDH1A1BCHE
SCHEMBL7130261 0.83 MAPT (0.70) MAPTHRH3
SCHEMBL5175599 0.82 ADRA2A (0.66) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL28783183 0.82 MAPT (0.69) MAPTHRH3KDM4EALDH1A1BCHE
SCHEMBL9166930 0.81 MAPT (0.68) MAPTHRH3
SCHEMBL7120513 0.81 MAPT (0.68) MAPTHRH3
SCHEMBL7127342 0.81 MAPT (0.68) MAPTHRH3
SCHEMBL7787166 0.81 MAPT (0.68) MAPTHRH3
SCHEMBL9641573 0.80 MAPT (0.67) MAPTHRH3ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4859355-A CONTAINING MERCAPTANS MOBIL OIL CORPORATION (US) 1989-08-22 US claimed
US-4806130-A REACTION PRODUCT OF MANNICH BASE AND MERCAPTAN MOBIL OIL CORPORATION (US) 1989-02-21 US claimed
US-4717492-A OXIDATION RESISTANCE MOBIL OIL CORPORATION (US) 1988-01-05 US claimed
CN-103975003-B Carbon fiber forming blank, moulding material and carbon fibre reinforced composite 东丽株式会社 2017-07-28 CN disclosed
CN-102959154-A Method for producing sizing agent-coated carbon fiber and sizing agent-coated carbon fiber TORAY INDUSTRIES 2013-03-06 CN disclosed
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed