SCHEMBL13705669

SCHEMBL13705669

Cc1nn2ccc3c(c2c1C=O)C(CCN)CC3

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.53
MTNR1B P49286 4/20 0.41
HTT P42858 1/20 0.30

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
SCHEMBL3580128 0.78 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL3584432 0.72 MTNR1A (0.67) MTNR1AMTNR1BHTT
SCHEMBL3581903 0.72 MTNR1A (0.47) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3582414 0.71 MTNR1A (0.65) MTNR1AMTNR1BHTT
SCHEMBL3583501 0.69 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL3574649 0.68 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL11985466 0.68 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL3578336 0.68 MTNR1A (0.47) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3575806 0.67 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL13705665 0.67 MTNR1A (0.79) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP disclosed