SCHEMBL4712243

SCHEMBL4712243

CC(=O)NC1c2ccccc2CCC1C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.67
TAS1R1 Q7RTX1 4/20 0.67
TAS1R2 Q8TE23 4/20 0.67
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
PDPK1 O15530 1/20 0.44
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29961639 1.00 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL23748757 1.00 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL7445852 0.84 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL2464634 0.84 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL2466133 0.84 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL2464636 0.84 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL599611 0.84 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL9854691 0.83 MTNR1A (0.51) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL30368188 0.82 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2PDPK1ATM
SCHEMBL25249453 0.82 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2PDPK1ATM

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-1998774-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION Actelion Pharmaceuticals Ltd. (CH) 2008-12-10 EP disclosed
WO-2007105177-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed