SCHEMBL7483377

SCHEMBL7483377

CCCCOc1ccccc1C(=O)NC1CCc2cccc(N3CCN(C)CC3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
SCN9A Q15858 1/20 0.53
DRD2 P14416 3/20 0.48
DRD4 P21917 2/20 0.48
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HTR7 P34969 4/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 1/20 0.45
HTR6 P50406 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 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
SCHEMBL7024650 0.92 MTNR1A (0.50) DRD2DRD4MTNR1AMTNR1BCYP1A2
SCHEMBL7024651 0.92 MTNR1A (0.50) DRD2DRD4MTNR1AMTNR1BCYP1A2
SCHEMBL7020765 0.85 KCNH2 (0.72) KCNH2SCN9ADRD2MTNR1AMTNR1B
SCHEMBL7028131 0.85 KCNH2 (0.72) KCNH2SCN9ADRD2MTNR1AMTNR1B
SCHEMBL7020770 0.85 KCNH2 (0.72) KCNH2SCN9ADRD2MTNR1AMTNR1B
SCHEMBL7029144 0.84 MTNR1A (0.49) KCNH2SCN9ADRD2DRD4MTNR1A
SCHEMBL7029145 0.84 MTNR1A (0.49) KCNH2SCN9ADRD2DRD4MTNR1A
SCHEMBL7023560 0.82 NPC1 (0.48) KCNH2SCN9ADRD2DRD4MTNR1A
SCHEMBL7024074 0.82 MTNR1A (0.47) KCNH2SCN9ADRD2DRD4MTNR1A
SCHEMBL7023556 0.82 NPC1 (0.48) KCNH2SCN9ADRD2DRD4MTNR1A

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-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO disclosed