SCHEMBL7183460

SCHEMBL7183460

CC(=O)OCC1(Nc2ccc(C(F)(F)F)cc2N)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CETP P11597 2/20 0.35
MAPK14 Q16539 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
MGLL Q99685 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7176716 0.83 PKM (0.50) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL7182956 0.80 ALDH1A1 (0.38) KDM4EALDH1A1GAAHSD17B10CYP2C19
SCHEMBL7191668 0.73 PTGER4 (0.49) CFTRKDM4EALDH1A1MAPTMEN1
SCHEMBL8793331 0.73 CFTR (0.39) CFTRKDM4EALDH1A1MAPTMEN1
SCHEMBL7188766 0.72 CFTR (0.47) CFTRKDM4EALDH1A1MAPTMEN1
SCHEMBL7449675 0.71 CFTR (0.46) CFTRKDM4EALDH1A1MAPTMEN1
SCHEMBL2235637 0.69 CYP1A2 (0.55) CFTRKDM4EALDH1A1MAPTMEN1
SCHEMBL7359963 0.68 ALDH1A1 (0.44) CFTRKDM4EALDH1A1MAPTMEN1
SCHEMBL7449680 0.67 CFTR (0.46) CFTRKDM4EALDH1A1MAPTMEN1
SCHEMBL7178329 0.66 CFTR (0.42) CFTRKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed