SCHEMBL9774497

SCHEMBL9774497

O=C(O)CN1C(=O)C2(Cc3ccccc3C2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.48
EGLN1 Q9GZT9 1/20 0.48
OPRL1 P41146 6/20 0.46
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL9543551 0.82 OPRL1 (0.48) OPRL1ALDH1A1
SCHEMBL2256110 0.82 EGLN1 (0.53) PTGDR2EGLN1OPRL1
SCHEMBL2254486 0.81 EGLN1 (0.52) PTGDR2EGLN1OPRL1
SCHEMBL2254620 0.81 EGLN1 (0.52) EGLN1OPRL1ALDH1A1
SCHEMBL3711385 0.76 ALDH1A1 (0.47) PTGDR2ALDH1A1
SCHEMBL15157179 0.76 TP53 (0.61) ALDH1A1
SCHEMBL16812474 0.76 ALDH1A1 (0.49) PTGDR2EGLN1OPRL1ALDH1A1
SCHEMBL2255992 0.75 EGLN1 (0.58) EGLN1OPRL1
SCHEMBL9544593 0.74 OPRL1 (0.50) PTGDR2OPRL1ALDH1A1
SCHEMBL3730104 0.74 OPRL1 (0.58) PTGDR2EGLN1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064852-A Antidiabetic agents; aldose reductase inhibitors PFIZER INC. (US) 1991-11-12 US disclosed
US-4960785-A Indolinone derivatives PFIZER INC. (US) 1990-10-02 US disclosed
EP-0252713-B1 INDOLINONE DERIVATIVES PFIZER INC. (US) 1990-09-12 EP disclosed