SCHEMBL6424671

SCHEMBL6424671

CCc1nc2c[c]ccc2n1-c1ccc(CCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 2/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34
PABPC1 P11940 1/20 0.34
RECQL P46063 1/20 0.33
FAAH O00519 1/20 0.33
PTGER4 P35408 1/20 0.33
RAB9A P51151 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
CRBN Q96SW2 1/20 0.31
PTGS2 P35354 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
SCHEMBL1624977 0.82 NTRK1 (0.52) MEN1KMT2ANTRK1NTRK2ESR1
SCHEMBL7099376 0.80 MEN1 (0.35) MEN1KMT2ANTRK1NTRK2ESR1
SCHEMBL1625182 0.80 PDE10A (0.47) NTRK1NTRK2ESR1ESR2TP53
SCHEMBL1626167 0.78 ESR1 (0.41) MEN1KMT2ANTRK1NTRK2ESR1
SCHEMBL1625031 0.78 KMT2A (0.47) MEN1KMT2AESR1ESR2TP53
SCHEMBL1626020 0.78 PPARG (0.41) MEN1KMT2ANTRK1NTRK2ESR1
SCHEMBL1623705 0.78 AGTR1 (0.43) MEN1KMT2ANTRK1NTRK2ESR1
SCHEMBL1626171 0.77 USP14 (0.41) MEN1KMT2AESR1ESR2TP53
SCHEMBL1623726 0.77 NTRK1 (0.42) MEN1KMT2ANTRK1NTRK2ESR1
SCHEMBL1625251 0.76 AGTR1 (0.43) MEN1KMT2ANTRK1NTRK2ESR1

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
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed