SCHEMBL7572055

SCHEMBL7572055

CCCCCC1=NC=CNc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32

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
SCHEMBL9483528 0.73 NR1H2 (0.35) GPR3KCNH2CNR1PTPN1MEN1
SCHEMBL9483541 0.73 NR1H2 (0.35) GPR3KCNH2CNR1PTPN1MEN1
SCHEMBL8595375 0.70 — —
SCHEMBL4788655 0.70 KCNH3 (0.38) PTPN1NPC1ALDH1A1
SCHEMBL2364518 0.67 GABRA1 (0.54) CNR1PTPN1MEN1KMT2AATM
SCHEMBL30030411 0.66 IDO1 (0.32) KMT2A
SCHEMBL3259331 0.63 ACHE (0.43) KCNH2PTPN1MEN1KMT2AALDH1A1
SCHEMBL5601077 0.62 KCNH2 (0.39) GPR3KCNH2CNR1PTPN1NR1H2
SCHEMBL5602197 0.61 GPR3 (0.42) GPR3KCNH2CNR1PTPN1NR1H2
SCHEMBL16486471 0.61 MAPT (0.34) MEN1KMT2AALDH1A1TDP1

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
US-20020151543-A1 Compositions and methods employing R (-) fluoxetine and other active ingredients SEPRACOR INC. 2002-10-17 — — US disclosed
WO-2000024399-A1 COMPOSITIONS AND METHODS EMPLOYING R(-) FLUOXETINE AND OTHER ACTIVE INGREDIENTS SEPRACOR INC. (US) 2000-05-04 — — WO disclosed
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