SCHEMBL11040374

SCHEMBL11040374

COc1cc2c(cc1N)CC(NC(C)=O)CC2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.61
MTNR1B P49286 7/20 0.61
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ACHE P22303 3/20 0.45
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL3848346 0.84 MTNR1A (0.61) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3858044 0.83 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3848918 0.80 MTNR1A (0.59) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11042137 0.80 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
Hydrochloric Acid SCHEMBL9352093 0.76 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3854031 0.76 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3975748 0.76 MTNR1A (0.90) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3847526 0.75 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9731034 0.75 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL21798809 0.75 MTNR1A (0.49) MTNR1AMTNR1BCA1CA2ACHE

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
US-4442126-A PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS SYNTHELABO (FR) 1984-04-10 US disclosed