SCHEMBL8566624

SCHEMBL8566624

CC(C)(C#N)Cc1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD3 P35462 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
ENPP2 Q13822 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL10916864 0.87 ATM (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10917476 0.81 ATM (0.44) ATMCYP1A2KMT2A
SCHEMBL22164805 0.80 MAOB (0.46) TAAR1ATMCYP3A4MAPK1KMT2A
SCHEMBL2441958 0.80 ACHE (0.44) TAAR1ATMKDM4ELMNAMAPT
SCHEMBL1753917 0.79 ESR1 (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL235472 0.79 TAAR1 (0.43) TAAR1ATMCYP1A2LMNAMAPT
SCHEMBL905144 0.77 ENPP2 (0.52) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2851418 0.77 FOLH1 (0.51) PKMNFKB1KMT2A
SCHEMBL5784144 0.77 SLC6A2 (0.52) TAAR1ATMCYP1A2CYP3A4ESR1
SCHEMBL10666058 0.76 TAAR1 (0.57) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed