SCHEMBL4392674

SCHEMBL4392674

CC(C)Oc1cc(O)ccc1CCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.41
HTR2C P28335 3/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL4390974 0.86 CSNK2A1 (0.47) CSNK2A1HTR2CHTR1AHTR2AHTR2B
SCHEMBL8142072 0.85 TYR (0.43) CYP3A4TSHRTYRMAPT
SCHEMBL4363956 0.81 MAOB (0.57) HTR2CHTR2ATAAR1TSHRMAOB
SCHEMBL8146596 0.80 ALOX5 (0.59) HTR2CCYP3A4TSHRTYRMAPT
SCHEMBL1049677 0.78 HTR2C (0.41) HTR2CHTR1AHTR2AHTR2BTAAR1
SCHEMBL5106706 0.77 F2 (0.41)
SCHEMBL7726674 0.76 MAOB (0.59) CYP2C9TYRMAOB
SCHEMBL4387609 0.75 CNR2 (0.46) HTR1AHTR1BTYRMAPT
SCHEMBL3881130 0.75 TAAR1 (0.42) HTR2CHTR1AHTR2AHTR2BTAAR1
SCHEMBL3842137 0.75 TAAR1 (0.63) HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227390-B2 Binder resin for friction material, binder resin composition for friction material, composite material for friction material containing the same, friction material and production method thereof AKEBONO BRAKE INDUSTRY CO., LTD. (JP) 2012-07-24 US disclosed
US-20090137434-A1 BINDER RESIN FOR FRICTION MATERIAL, BINDER RESIN COMPOSITION FOR FRICTION MATERIAL, COMPOSITE MATERIAL FOR FRICTION MATERIAL CONTAINING THE SAME, FRICTION MATERIAL AND PRODUCTION METHOD THEREOF AKEBONO BRAKE INDUSTRY CO., LTD (JP) 2009-05-28 US disclosed