SCHEMBL8471702

SCHEMBL8471702

CCOC(=O)/C(=C/N(C1CCCCC1)C1CCCCC1)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 6/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8471703 1.00 ALDH1A1 (0.36) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL3646508 0.86 ADRB2 (0.34) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL3646505 0.86 ADRB2 (0.34) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL3646858 0.86 NPSR1 (0.34) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL3646859 0.86 NPSR1 (0.34) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL3648770 0.84 MEN1 (0.32) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL3648468 0.82 NPSR1 (0.34) KDM4EKMT2AMAPTMEN1NPSR1
SCHEMBL3648464 0.82 NPSR1 (0.34) KDM4EKMT2AMAPTMEN1NPSR1
SCHEMBL3651199 0.82 MEN1 (0.32) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL9561731 0.81 MEN1 (0.40) KMT2AMAPTMEN1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5892040-A Process for the manufacture of a tricyclic compound PFIZER. INC (US) 1999-04-06 US disclosed
EP-0680482-B1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND PFIZER (US) 1997-04-02 EP disclosed
EP-0680482-A1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND. PFIZER (US) 1995-11-08 EP disclosed
WO-1994017074-A1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND PFIZER INC. (US) 1994-08-04 WO disclosed