SCHEMBL9492811

SCHEMBL9492811

COc1ccc2c(c1)C(CC(=O)NO)CCC2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.64
MTNR1B P49286 9/20 0.59
NQO2 P16083 8/20 0.59
TRPV1 Q8NER1 1/20 0.53

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
SCHEMBL8884747 0.86 MTNR1A (0.61) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL13048484 0.81 MTNR1A (0.56) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL3410298 0.81 MTNR1A (0.56) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL11403440 0.79 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL8887234 0.79 MTNR1A (0.87) MTNR1AMTNR1BNQO2
SCHEMBL23788244 0.78 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL7104353 0.78 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7950130 0.78 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8885662 0.78 MTNR1A (0.80) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL12394485 0.78 MTNR1A (0.70) MTNR1AMTNR1BNQO2

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-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed