SCHEMBL9722175

SCHEMBL9722175

CCN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(F)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
ACHE P22303 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 4/20 0.43
CYP19A1 P11511 3/20 0.41
HRH3 Q9Y5N1 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL9721975 0.84 LMNA (0.67) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL9722139 0.81 CYP2D6 (0.71) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL14587216 0.78 CNR2 (0.53) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL1857833 0.76 TSHR (0.39) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL9722042 0.75 ALDH1A1 (0.57) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL12203514 0.74 HRH3 (0.61) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL9313621 0.72 CDK4 (0.51) LMNAMAPTKMT2AMEN1HPGD
SCHEMBL9722006 0.71 CYP2D6 (0.67) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL9722131 0.71 CYP2D6 (0.56) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL9722145 0.70 CYP2D6 (0.67) NR1I2LMNAADRA2ACYP2D6ACHE

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-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP claimed
EP-0310122-A1 Antifungal composition KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP claimed
US-5120735-A Synergistic mixture of miconazole, ketoconazole or fluconazole and N-4-tertbutylbenzyl-N-methyl-1-naphthalenemethylamine KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-06-09 US disclosed
EP-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP disclosed
EP-0310122-A1 Antifungal composition KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed