SCHEMBL7950130

SCHEMBL7950130

COc1ccc2c(c1)[C@H](CCNC(C)=O)CCC2

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.86
MTNR1B P49286 15/20 0.86
NQO2 P16083 14/20 0.86
TRPV1 Q8NER1 1/20 0.68

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
SCHEMBL7104353 1.00 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7952490 0.93 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL4685396 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7950293 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL4685402 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL7956065 0.92 MTNR1A (0.73) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8889850 0.89 MTNR1A (0.72) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7017326 0.88 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7952293 0.88 MTNR1A (0.74) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8887234 0.88 MTNR1A (0.87) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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