SCHEMBL7951348

SCHEMBL7951348

COc1ccc2c(c1)[C@H](CCNC(=O)C(F)(F)F)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 1.00
MTNR1B P49286 20/20 1.00
NQO2 P16083 18/20 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
SCHEMBL7951573 1.00 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951392 1.00 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7943606 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951212 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7950457 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7953882 0.92 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7950304 0.89 MTNR1A (0.80) MTNR1AMTNR1BNQO2
SCHEMBL7951302 0.87 MTNR1A (0.88) MTNR1AMTNR1BNQO2
SCHEMBL7950447 0.86 MTNR1A (0.86) MTNR1AMTNR1BNQO2
SCHEMBL7950319 0.86 MTNR1A (0.82) 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 10 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 claimed
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP claimed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP claimed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO claimed
JP-8134030-A None JP disclosed
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
JP-H08134030-A BENZOCYCLOALKENES, THEIR PRODUCTION AND AGENTS USED THEREFOR TAKEDA CHEM IND LTD 1996-05-28 JP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed