SCHEMBL7021164

SCHEMBL7021164

COc1cccc2c1CC[C@@H](NC(C)=O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 1.00
MTNR1B P49286 9/20 1.00
CA1 P00915 3/20 0.77
CA2 P00918 3/20 0.77
ACHE P22303 3/20 0.77
DRD2 P14416 4/20 0.68
DRD4 P21917 3/20 0.68
DRD3 P35462 3/20 0.68
CYP1A2 P05177 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
ALOX15 P16050 1/20 0.62

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
SCHEMBL9731034 1.00 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11960204 1.00 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3919777 0.90 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL14452758 0.88 MTNR1A (0.79) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL2351965 0.86 MTNR1A (0.84) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL2597485 0.86 MTNR1A (0.84) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL30089783 0.86 MTNR1A (0.84) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10464119 0.85 MTNR1A (0.74) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11496541 0.83 MTNR1A (0.72) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6513612 0.83 MTNR1A (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278885-A1 RESOLUTION OF AMINOTETRALINS TORCAN CHEMICAL Ltd (CA) 2003-01-29 EP claimed
WO-2001083807-A1 RESOLUTION OF AMINOTETRALINS TORCAN CHEMICAL LTD. (CA) 2001-11-08 WO claimed