SCHEMBL9846073

SCHEMBL9846073

CCCCC(N)C(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MME P08473 1/20 0.43
CSNK1E P49674 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR2A P28223 2/20 0.40
AOC3 Q16853 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
HRH1 P35367 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL11474474 0.94 CSNK1E (0.49) POLBMMECSNK1ETAAR1KDM4E
SCHEMBL27565319 0.93 CSNK1E (0.51) POLBCSNK1EALDH1A1HTR2A
SCHEMBL25380721 0.82 DPP4 (0.50) POLBCSNK1EKDM4EALDH1A1HTR2A
Hydrochloric Acid SCHEMBL10938711 0.81 POLB (0.43) POLBMMECSNK1ETAAR1KDM4E
SCHEMBL3765092 0.81 HRH1 (0.50) CSNK1ETAAR1HTR2AADRA2AADRA2C
Hydrochloric Acid SCHEMBL11127121 0.81 TACR1 (0.43) POLBCSNK1EKDM4EALDH1A1HTR2A
Water SCHEMBL11439220 0.81 TACR1 (0.43) POLBCSNK1EKDM4EALDH1A1HTR2A
SCHEMBL20691924 0.80 POLB (0.47) POLBMMETAAR1KDM4EALDH1A1
SCHEMBL10159454 0.79 TAAR1 (0.46) TAAR1KDM4EALDH1A1AOC3ADRA2A
SCHEMBL21278557 0.79 AOC3 (0.54) POLBCSNK1EKDM4EALDH1A1AOC3

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
EP-0424965-A1 Amine oxide process ETHYL CORPORATION (US) 1991-05-02 EP disclosed
US-4960934-A Amine oxide process ETHYL CORPORATION (US) 1990-10-02 US disclosed
US-4942260-A REACTION OF A TERT-AMINE WITH HYDROGEN PEROXIDE IN THE PRESENCE OF CATALYTIC CARBON DIOXIDE ETHYL CORPORATION (US) 1990-07-17 US disclosed
EP-0356918-A1 Amine oxide process ETHYL CORPORATION (US) 1990-03-07 EP disclosed
US-4889954-A DIALKYLCARBONATE CATALYST ETHYL CORPORATION (US) 1989-12-26 US disclosed
EP-0307184-A2 Preparation of Amine Oxides ETHYL CORPORATION (US) 1989-03-15 EP disclosed