SCHEMBL7953845

SCHEMBL7953845

O=C(NCCC1CCCc2ccccc21)c1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.73
MTNR1A P48039 3/20 0.62
MTNR1B P49286 3/20 0.62
DHODH Q02127 8/20 0.52
NQO2 P16083 1/20 0.51
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTR2C P28335 2/20 0.46
HTR1A P08908 1/20 0.46
DRD3 P35462 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL7955977 0.78 MTNR1A (1.00) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL18898252 0.77 TRPV1 (0.63) TRPV1DHODHTAOK1TAOK3L3MBTL1
SCHEMBL8888114 0.73 MTNR1A (0.58) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL8886980 0.70 MTNR1A (0.59) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL8888224 0.69 MTNR1A (0.56) TRPV1MTNR1AMTNR1BNQO2TAOK1
SCHEMBL8431901 0.68 MTNR1A (0.72) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL7951212 0.67 MTNR1A (1.00) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL7950457 0.67 MTNR1A (1.00) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL24087742 0.67 DHODH (1.00) TRPV1DHODHTAOK1TAOK3L3MBTL1
SCHEMBL29445361 0.67 DHODH (1.00) TRPV1DHODHTAOK1TAOK3L3MBTL1

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