SCHEMBL7956201

SCHEMBL7956201

COc1ccc2c(c1)C(CCCN)CC2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.60
NQO2 P16083 16/20 0.60
MTNR1B P49286 16/20 0.60
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL18898091 0.92 SIGMAR1 (0.64) MTNR1ANQO2MTNR1BSIGMAR1
SCHEMBL8572116 0.92 SIGMAR1 (0.64) MTNR1ANQO2MTNR1BSIGMAR1
SCHEMBL7951891 0.91 MTNR1A (0.62) MTNR1ANQO2MTNR1B
SCHEMBL7950373 0.91 MTNR1A (0.62) MTNR1ANQO2MTNR1B
SCHEMBL7953822 0.91 MTNR1A (0.62) MTNR1ANQO2MTNR1B
Hydrochloric Acid SCHEMBL7952286 0.90 MTNR1A (0.61) MTNR1ANQO2MTNR1B
SCHEMBL9630431 0.85 MTNR1A (0.60) MTNR1ANQO2MTNR1B
SCHEMBL7952263 0.84 MTNR1A (0.61) MTNR1ANQO2MTNR1BSIGMAR1
Hydrochloric Acid SCHEMBL10395043 0.84 MTNR1A (0.59) MTNR1ANQO2MTNR1B
SCHEMBL2421262 0.84 MTNR1A (0.65) MTNR1ANQO2MTNR1B

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
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
CN-1156443-A Benzocycloalkene compound, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-06 CN 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