SCHEMBL9706147

SCHEMBL9706147

CCCCN(CCCC)CCOCCN(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD3 P35462 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17159543 0.93 HTR1B (0.42) MEN1POLBKMT2AHTR1BHTR1D
SCHEMBL22416456 0.88 HTR1B (0.42) MEN1POLBKMT2AHTR1BHTR1D
SCHEMBL9706139 0.88 HTR1B (0.40) MEN1POLBKMT2AHTR1BCHRM2
SCHEMBL20394653 0.88 MEN1 (0.50) MEN1POLBKMT2AKDM4ECHRM2
Ammonia Solution, Strong SCHEMBL28832288 0.86 MEN1 (0.48) MEN1POLBKMT2AKDM4ECHRM2
SCHEMBL9705194 0.85 MEN1 (0.52) MEN1POLBKMT2AKDM4ECHRM2
SCHEMBL15003861 0.85 MEN1 (0.52) MEN1POLBKMT2AKDM4ECHRM2
SCHEMBL135077 0.84 MEN1 (0.61) MEN1POLBKMT2AKDM4ECHRM2
SCHEMBL21126403 0.84 MEN1 (0.50) MEN1POLBKMT2ATSHR
SCHEMBL10731682 0.84 MEN1 (0.50) MEN1POLBKMT2ATSHR

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