SCHEMBL5237941

SCHEMBL5237941

CCOc1ccc2c(C)ccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
MAPT P10636 2/20 0.46
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
NQO1 P15559 1/20 0.43
TLR8 Q9NR97 2/20 0.43
RAB9A P51151 2/20 0.43
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
TERT O14746 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
SCHEMBL6670668 0.87 TLR8 (0.45) GRM4HTR1AADRA1DADRA1AADRA1B
SCHEMBL4873187 0.86 ALDH1A1 (0.49) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL2997568 0.82 HTR1A (0.59) GRM4HTR1AADRA1DADRA1AADRA1B
SCHEMBL3688152 0.82 MAOA (0.52) GRM4HTR1AADRA1DADRA1AADRA1B
SCHEMBL2174254 0.81 GRM4 (0.47) GRM4MAPTHTR1AADRA1DADRA1A
SCHEMBL22923832 0.80 MET (0.43) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL27113171 0.76 CAMKK1 (0.47) GRM4MAPTNQO1RAB9AALDH1A1
SCHEMBL621960 0.76 KMT2A (0.58) MAPTNQO1RAB9AALDH1A1KDM4E
SCHEMBL8028645 0.75 KMT2A (0.55) MAPTNQO1ALDH1A1KDM4EHPGD
SCHEMBL15046641 0.75 CCR1 (0.45) MAPTHTR1AADRA1DADRA1AADRA1B

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-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
WO-2004026302-A1 METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed