SCHEMBL7956065

SCHEMBL7956065

COc1ccc2c(c1)C(CCCCNC(C)=O)CCC2

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.73
MTNR1B P49286 11/20 0.73
NQO2 P16083 10/20 0.73
TRPV1 Q8NER1 1/20 0.59

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
SCHEMBL7952490 0.97 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7104353 0.92 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7950130 0.92 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7943778 0.90 MTNR1A (0.86) MTNR1AMTNR1BNQO2
SCHEMBL8887831 0.88 MTNR1A (0.68) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7950447 0.87 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL4685396 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7950293 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL4685402 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7951302 0.84 MTNR1A (0.88) MTNR1AMTNR1BNQO2TRPV1

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 3 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-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