SCHEMBL7950304

SCHEMBL7950304

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

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.80
MTNR1B P49286 20/20 0.80
NQO2 P16083 18/20 0.80

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
SCHEMBL7951348 0.89 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951392 0.89 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951573 0.89 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7950608 0.86 MTNR1A (0.81) MTNR1AMTNR1BNQO2
SCHEMBL4689191 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL4690452 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL27477454 0.84 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL7943606 0.83 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951212 0.83 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7950457 0.83 MTNR1A (1.00) 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 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