SCHEMBL11052371

SCHEMBL11052371

Cc1cc(C)c(-n2cnc(CO)c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
COMT P21964 2/20 0.31
CRHR1 P34998 1/20 0.30
CPB1 P15086 1/20 0.30
CPB2 Q96IY4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
SCD O00767 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL11046359 0.84 CPB1 (0.39) NOTUMPDE3BPDE3ACPB1CPB2
SCHEMBL11050130 0.81 PDE3B (0.41) NOTUMPDE3BPDE3ACOMTCPB1
SCHEMBL11047534 0.79 COMT (0.46) NOTUMPDE3BPDE3ACOMTCPB1
SCHEMBL11350776 0.76 CPB1 (0.38) NOTUMPDE3BPDE3ACOMTCPB1
SCHEMBL11051360 0.74 NOTUM (0.36) NOTUMPDE3BPDE3ACPB1CPB2
SCHEMBL4432563 0.74 NOTUM (0.51) NOTUMPDE3BPDE3ACOMTCPB1
SCHEMBL4427890 0.73 NOTUM (0.55) NOTUMPDE3BPDE3ACPB2KDM4E
SCHEMBL11047728 0.72 PDE3B (0.40) NOTUMPDE3BPDE3ACPB1CPB2
SCHEMBL11046403 0.71 CPB1 (0.54) NOTUMPDE3BPDE3ACPB1CPB2
SCHEMBL4429999 0.70 RXRA (0.41) NOTUMPDE3BPDE3A

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
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US disclosed
EP-0024829-A1 4-Benzyl- and 4-benzoylimidazole derivatives, processes for their preparation and pharmaceutical compositions comprising the same Farmos-Yhtyma Oy (FI) 1981-03-11 EP disclosed