SCHEMBL8566958

SCHEMBL8566958

Cc1ccc2c(c1)[C@@H](CCN)CCC2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
NQO2 P16083 1/20 0.40
MTNR1B P49286 1/20 0.40
ABCB1 P08183 1/20 0.38

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
SCHEMBL8521248 1.00 MTNR1A (0.41) MTNR1ASIGMAR1NQO2MTNR1BABCB1
SCHEMBL8021748 0.92 SIGMAR1 (0.44) MTNR1ASIGMAR1NQO2MTNR1BABCB1
SCHEMBL8521850 0.81 MTNR1A (0.39) MTNR1ASIGMAR1NQO2MTNR1B
SCHEMBL8569498 0.81 MTNR1A (0.39) MTNR1ASIGMAR1NQO2MTNR1B
SCHEMBL15659806 0.81 ESR1 (0.53) MTNR1ASIGMAR1NQO2MTNR1B
SCHEMBL7952263 0.80 MTNR1A (0.61) MTNR1ASIGMAR1NQO2MTNR1BABCB1
SCHEMBL7857142 0.80 HTR7 (0.40) MTNR1ASIGMAR1NQO2MTNR1BABCB1
Hydrochloric Acid SCHEMBL8604303 0.80 MTNR1A (0.39) MTNR1ASIGMAR1NQO2MTNR1B
Hydrochloric Acid SCHEMBL8604302 0.80 MTNR1A (0.39) MTNR1ASIGMAR1NQO2MTNR1B
Hydrochloric Acid SCHEMBL15661220 0.79 ESR1 (0.51) MTNR1ASIGMAR1NQO2MTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721938-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-08 EP disclosed
US-5780512-A MELATONINERGIC ADIR ET COMPAGNIE (FR) 1998-07-14 US disclosed
US-5693665-A TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-02 US disclosed
EP-0721938-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 EP disclosed