SCHEMBL7523147

SCHEMBL7523147

CC(=O)NCCCCc1cccc2c1OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 1.00
MTNR1B P49286 5/20 0.49
ROCK2 O75116 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL7522947 0.96 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL1010497 0.91 MTNR1A (1.00) MTNR1AMTNR1BROCK2CYP3A4CYP2D6
SCHEMBL7522254 0.82 MTNR1A (1.00) MTNR1AMTNR1BROCK2CYP3A4CYP2D6
SCHEMBL7521339 0.82 MTNR1A (0.69) MTNR1AMTNR1BROCK2CYP3A4CYP2D6
SCHEMBL7520573 0.81 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL1011204 0.81 MTNR1A (0.82) MTNR1AMTNR1B
SCHEMBL7519971 0.80 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7521758 0.80 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7521096 0.79 MTNR1A (0.98) MTNR1AMTNR1B
SCHEMBL7524387 0.79 MTNR1A (1.00) MTNR1AMTNR1BROCK2CYP3A4CYP2D6

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
EP-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed