SCHEMBL30103091

SCHEMBL30103091

O=C(O)CC1CC2(C1)CC(NC(=O)c1cc(Cl)cc3cnn(Cc4cnc(-c5ccccc5)nc4)c13)C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.37
CRHR2 Q13324 2/20 0.37
CNR2 P34972 4/20 0.33
ROCK2 O75116 4/20 0.33
CNR1 P21554 3/20 0.33
PTGER4 P35408 1/20 0.33
CCR3 P51677 2/20 0.33
IDH1 O75874 1/20 0.33
FAAH O00519 1/20 0.33
PTGER1 P34995 1/20 0.33
PRKAA2 P54646 1/20 0.33
SLC6A12 P48065 1/20 0.33
MCHR1 Q99705 1/20 0.32

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
SCHEMBL24785453 1.00 CRHR1 (0.37) CRHR1CRHR2CNR2ROCK2CNR1
SCHEMBL30103101 1.00 CRHR1 (0.37) CRHR1CRHR2CNR2ROCK2CNR1
SCHEMBL21458211 0.92 CRHR1 (0.37) CRHR1CRHR2CNR2CNR1PTGER4
SCHEMBL31203506 0.92 CRHR1 (0.37) CRHR1CRHR2CNR2CNR1PTGER4
SCHEMBL30103049 0.91 MCHR1 (0.39) CRHR1CRHR2CNR2ROCK2CNR1
SCHEMBL24784548 0.91 MCHR1 (0.39) CRHR1CRHR2CNR2ROCK2CNR1
SCHEMBL30017918 0.91 CRHR1 (0.39) CRHR1CRHR2CNR2CNR1PTGER4
SCHEMBL30103065 0.91 IDH1 (0.37) ROCK2IDH1MCHR1
SCHEMBL24784544 0.90 CRHR1 (0.45) CRHR1CRHR2CNR2CNR1IDH1
SCHEMBL30018128 0.90 CNR2 (0.41) CRHR1CRHR2CNR2CNR1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed