SCHEMBL9705220

SCHEMBL9705220

CCN(CC)CCOCCN(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.50
CHRM1 P11229 8/20 0.50
DRD3 P35462 3/20 0.49
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
HTT P42858 2/20 0.45
LTA4H P09960 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
SLC22A1 O15245 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
PRCP P42785 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL1637985 0.83 ALOX15 (0.43) SMN1; SMN2HTTALDH1A1TSHR
SCHEMBL10893135 0.83 KCNH2 (0.48) CHRM2CHRM1DRD3KDM4ECYP1A2
SCHEMBL2671430 0.80 USP2 (0.42) HTTALDH1A1SLC6A4
SCHEMBL11679757 0.79 TAAR1 (0.47) CHRM2CHRM1DRD3SIGMAR1DRD1
SCHEMBL9746244 0.79 ADRB2 (0.43) KDM4EALDH1A1SLC6A4
SCHEMBL11687676 0.77 TSHR (0.49) KDM4ELTA4HALDH1A1TSHR
SCHEMBL24486783 0.76 CHRM2 (0.56) CHRM2CHRM1DRD3KDM4ESMN1; SMN2
SCHEMBL11675409 0.76 TSHR (0.50) HTTLMNAALDH1A1TSHRTDP1
SCHEMBL11169835 0.76 MEN1 (0.38) KDM4ESMN1; SMN2LMNAALDH1A1SLC6A4
SCHEMBL11677328 0.76 AOC3 (0.51) CHRM2CHRM1DRD3SIGMAR1DRD1

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