SCHEMBL3672323

SCHEMBL3672323

COc1ccc(C(=O)O)c2c1nc1n2CCCN1c1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.65
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
RORC P51449 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TTR P02766 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL3753917 0.91 CRHR1 (0.64) CRHR1ALDH1A1MAPK1GAAMEN1
SCHEMBL3673339 0.83 CRHR1 (0.58) CRHR1ALDH1A1HPGDGAAMEN1
SCHEMBL3750813 0.82 CRHR1 (0.75) CRHR1
SCHEMBL3758788 0.80 CRHR1 (0.64) CRHR1ALDH1A1CNR1
SCHEMBL3753402 0.80 CRHR1 (0.51) CRHR1ALDH1A1GAAMEN1KMT2A
SCHEMBL3753304 0.79 CRHR1 (0.76) CRHR1NOTUMALDH1A1LMNACNR1
SCHEMBL3667990 0.79 CRHR1 (0.63) CRHR1NOTUMALDH1A1
SCHEMBL3746103 0.78 CRHR1 (1.00) CRHR1NOTUMLMNACNR1
SCHEMBL3756478 0.76 CRHR1 (0.75) CRHR1
SCHEMBL3759354 0.76 CRHR1 (0.75) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed