SCHEMBL7076240

SCHEMBL7076240

COc1cc(OC)cc(C2(N3CCC[C@H]3C(=O)N(C)C)C(=O)Nc3ccc(Cl)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 10/20 0.47
OXTR P30559 9/20 0.47
AVPR1A P37288 9/20 0.47
BRD4 O60885 4/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CBX7 O95931 1/20 0.38
CDYL Q9Y232 1/20 0.38
CASP3 P42574 1/20 0.38
AVPR2 P30518 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL4590690 0.93 OXTR (0.51) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL4590243 0.92 OXTR (0.49) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL4590281 0.87 AVPR1B (0.56) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL4590704 0.87 AVPR1B (0.58) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL4590188 0.86 OXTR (0.49) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL2495591 0.85 OXTR (0.50) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL2494928 0.84 AVPR1B (0.56) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL4589816 0.84 AVPR1B (0.56) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL2499968 0.84 BRD4 (0.49) AVPR1BOXTRAVPR1ABRD4MEN1
SCHEMBL4590226 0.83 OXTR (0.47) AVPR1BOXTRAVPR1ABRD4MEN1

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-1296976-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2003-04-02 EP disclosed
WO-2001098295-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-12-27 WO disclosed