SCHEMBL7950608

SCHEMBL7950608

CCOc1ccc2c(c1)C(CCNC(C)=O)CC2

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.81
NQO2 P16083 18/20 0.81
MTNR1B P49286 18/20 0.81

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
SCHEMBL4690452 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4689191 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4685396 0.88 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL7950293 0.88 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4685402 0.88 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL7950304 0.86 MTNR1A (0.80) MTNR1ANQO2MTNR1B
SCHEMBL7943633 0.84 MTNR1A (0.68) MTNR1ANQO2MTNR1B
SCHEMBL7017326 0.84 MTNR1A (0.75) MTNR1ANQO2MTNR1B
SCHEMBL4266523 0.82 MTNR1A (0.66) MTNR1ANQO2MTNR1B
SCHEMBL5343123 0.81 MTNR1A (0.77) MTNR1ANQO2MTNR1B

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-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP disclosed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed