SCHEMBL9705617

SCHEMBL9705617

CCCN(CCC)CCOCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KEAP1 Q14145 1/20 0.39
CYP3A4 P08684 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
SCHEMBL17431724 0.90 ALDH1A1 (0.41) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL9705237 0.88 TSHR (0.44) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL20462988 0.83 TDP1 (0.41) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL1032225 0.82 SMN1; SMN2 (0.48) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL10883021 0.82 SMN1; SMN2 (0.48) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL3305244 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL18900379 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL1132784 0.81 TSHR (0.46) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL3304967 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL28930620 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1CYP1A2CHRM2CHRM1

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
EP-0214852-B1 PERFLUOROAMINOETHERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-28 EP disclosed
US-5049670-A Pour point MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-17 US disclosed
US-4929725-A NONFLAMMABLE, HYDRAULIC FLUIDS MOORE GEORGE G I (US) 1990-05-29 US disclosed
US-4788339-A HIGH BOILING, LOW POUR POINT; HYDRAULIC FLUIDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-29 US disclosed