SCHEMBL4080190

SCHEMBL4080190

CCCCOc1ccc2c(O)c(OC(=O)NCCO)nc(Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
LIPE Q05469 1/20 0.43
FAAH O00519 3/20 0.42
CNR2 P34972 5/20 0.42
CNR1 P21554 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 4/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL4074699 0.87 SMN1; SMN2 (0.43) FAAHSMN1; SMN2MTNR1ATHRATHRB
SCHEMBL1030683 0.85 SMN1; SMN2 (0.47) BCHELIPESMN1; SMN2MTNR1ATHRA
SCHEMBL4076022 0.84 THRA (0.41) FAAHSMN1; SMN2MTNR1ATHRATHRB
SCHEMBL8145604 0.83 THRA (0.54) CNR2CNR1THRATHRBEGLN1
SCHEMBL4070933 0.83 SMN1; SMN2 (0.43) FAAHSMN1; SMN2MTNR1ATHRATHRB
SCHEMBL4078396 0.82 ESR1 (0.40) FAAHMTNR1ATHRATHRBEGLN1
SCHEMBL1033120 0.81 SMN1; SMN2 (0.47) BCHELIPESMN1; SMN2MTNR1ATHRA
SCHEMBL4074682 0.79 DHODH (0.39) FAAHMTNR1A
SCHEMBL1033035 0.79 EGLN1 (0.47) SMN1; SMN2THRATHRBEGLN1
SCHEMBL1033585 0.78 THRA (0.41) SMN1; SMN2MTNR1ATHRATHRBEGLN1

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-1538160-B1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN INC (US) 2009-06-03 EP disclosed
EP-0911340-B1 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use FIBROGEN INC (US) 2005-07-06 EP disclosed
EP-1538160-A1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN, INC. (US) 2005-06-08 EP disclosed
EP-0911340-A2 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-28 EP disclosed