SCHEMBL7956590

SCHEMBL7956590

COc1ccc2c(c1)/C(=C\CNC(=O)C1CC1)CCC2

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.65
MTNR1B P49286 13/20 0.65
NQO2 P16083 2/20 0.65
ABCB1 P08183 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7956587 1.00 MTNR1A (0.65) MTNR1AMTNR1BNQO2ABCB1KDM4E
SCHEMBL7956592 1.00 MTNR1A (0.65) MTNR1AMTNR1BNQO2ABCB1KDM4E
SCHEMBL7951200 0.93 MTNR1A (0.75) MTNR1AMTNR1BNQO2
SCHEMBL7951204 0.93 MTNR1A (0.75) MTNR1AMTNR1BNQO2
SCHEMBL7951201 0.93 MTNR1A (0.75) MTNR1AMTNR1BNQO2
SCHEMBL1289438 0.86 MTNR1A (0.67) MTNR1AMTNR1BNQO2ABCB1KDM4E
SCHEMBL1289440 0.86 MTNR1A (0.67) MTNR1AMTNR1BNQO2ABCB1KDM4E
SCHEMBL1289442 0.86 MTNR1A (0.67) MTNR1AMTNR1BNQO2ABCB1KDM4E
SCHEMBL7952088 0.82 MTNR1A (0.62) MTNR1AMTNR1BNQO2ABCB1KDM4E
SCHEMBL7951426 0.82 MTNR1B (0.62) MTNR1AMTNR1BNQO2ABCB1KDM4E

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