SCHEMBL1036007

SCHEMBL1036007

CC(C)NCCc1cccc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.50
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MPO P05164 2/20 0.41
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADAMTS4 O75173 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
FYN P06241 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MMP8 P22894 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
SCHEMBL25453155 0.85 MPO (0.56) MPOCA2HSD17B10
Hydrochloric Acid SCHEMBL11283122 0.81 SLC6A2 (0.36) GABRA1GABRB2SLC6A2HTR2AADRB2
SCHEMBL2468728 0.79 HTR2A (0.56) IAPPMPOHTR2AADAMTS4ALDH1A1
SCHEMBL31734098 0.79 OPRK1 (0.68) SLC6A2HTR2AADRB2ADRB1EGFR
Hydrochloric Acid SCHEMBL4745928 0.78 OPRK1 (0.66) SLC6A2HTR2AADRB2ADRB1EGFR
Hydrochloric Acid SCHEMBL11283194 0.76 SLC6A2 (0.37) IAPPSLC6A2HTR2AADRB2LMNA
SCHEMBL6345729 0.76 IAPP (0.55) IAPPGABRA1GABRB2HTR2AADAMTS4
SCHEMBL22353000 0.73 IAPP (0.39) IAPPMPOADRB2ADAMTS4ALDH1A1
SCHEMBL30183116 0.73 HTR2A (0.74) SLC6A2HTR2AALDH1A1RECQLTDP1
SCHEMBL25008879 0.73 HTR2A (0.74) SLC6A2HTR2AALDH1A1RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276472-B1 COMPOSITIONS COMPRISING WEAKLY BASIC DRUGS AND CONTROLLED-RELEASE DOSAGE FORMS ADARE PHARMACEUTICALS INC (US) 2018-11-21 EP claimed
EP-2276472-A1 COMPOSITIONS COMPRISING WEAKLY BASIC DRUGS AND CONTROLLED-RELEASE DOSAGE FORMS Eurand, Inc. (US) 2011-01-26 EP claimed
WO-2009129282-A1 COMPOSITIONS COMPRISING WEAKLY BASIC DRUGS AND CONTROLLED-RELEASE DOSAGE FORMS EURAND INC (US) 2009-10-22 WO claimed
US-20090258066-A1 COMPOSITIONS COMPRISING WEAKLY BASIC DRUGS AND CONTROLLED-RELEASE DOSAGE FORMS ADARE PHARMACEUTICALS USA, INC. 2009-10-15 US claimed
EP-2276472-B1 COMPOSITIONS COMPRISING WEAKLY BASIC DRUGS AND CONTROLLED-RELEASE DOSAGE FORMS ADARE PHARMACEUTICALS INC (US) 2018-11-21 EP disclosed
EP-2276472-A1 COMPOSITIONS COMPRISING WEAKLY BASIC DRUGS AND CONTROLLED-RELEASE DOSAGE FORMS Eurand, Inc. (US) 2011-01-26 EP disclosed
WO-2009129282-A1 COMPOSITIONS COMPRISING WEAKLY BASIC DRUGS AND CONTROLLED-RELEASE DOSAGE FORMS EURAND INC (US) 2009-10-22 WO disclosed
US-20090258066-A1 COMPOSITIONS COMPRISING WEAKLY BASIC DRUGS AND CONTROLLED-RELEASE DOSAGE FORMS ADARE PHARMACEUTICALS USA, INC. 2009-10-15 US disclosed