SCHEMBL7956121

SCHEMBL7956121

CCCCC(=O)NCCC1CCc2ccc(OC)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 1.00
NQO2 P16083 17/20 1.00
MTNR1B P49286 17/20 1.00

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
SCHEMBL8886440 0.93 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL135601 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4687318 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL135600 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL8887000 0.87 MTNR1A (0.88) MTNR1ANQO2MTNR1B
SCHEMBL8886578 0.85 MTNR1A (0.81) MTNR1ANQO2MTNR1B
SCHEMBL8888092 0.84 MTNR1A (0.83) MTNR1ANQO2MTNR1B
SCHEMBL8886488 0.84 MTNR1A (0.76) MTNR1ANQO2MTNR1B
SCHEMBL8887869 0.84 MTNR1A (0.76) MTNR1ANQO2MTNR1B
SCHEMBL7950293 0.84 MTNR1A (1.00) 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