SCHEMBL7019156

SCHEMBL7019156

CN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(C(=O)C(F)(F)F)cc2)CC3)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.54
SCN9A Q15858 5/20 0.54
SCN5A Q14524 4/20 0.54
MTNR1A P48039 6/20 0.50
MTNR1B P49286 6/20 0.50
DRD4 P21917 2/20 0.42
DRD2 P14416 2/20 0.42
MLYCD O95822 1/20 0.42
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL7029805 1.00 KCNH2 (0.54) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL6820338 0.91 KCNH2 (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL6820334 0.91 KCNH2 (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7025761 0.91 KCNH2 (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7023472 0.89 MTNR1A (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7030289 0.89 MTNR1A (0.55) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7030407 0.88 MTNR1A (0.54) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7030412 0.88 MTNR1A (0.54) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7027930 0.87 MTNR1A (0.65) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL7027929 0.87 MTNR1A (0.65) KCNH2SCN9ASCN5AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US claimed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US disclosed