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SCHEMBL989649

SCHEMBL989649

NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2.O=C(NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ NPC1 O15118 1/20 0.31
▸ BDKRB1 P46663 1/20 0.31
▸ KLKB1 P03952 3/20 0.31

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
SCHEMBL988628 0.86 SLC6A9 (0.64) SLC6A9CYP3A4NPC1BDKRB1
SCHEMBL989642 0.86 NPC1 (0.41) SLC6A9NPC1BDKRB1KLKB1
SCHEMBL12096133 0.77 SLC6A9 (0.67) SLC6A9CYP3A4
Hydrochloric Acid SCHEMBL4257506 0.76 SLC6A9 (0.66) SLC6A9CYP3A4
SCHEMBL988871 0.76 SLC6A2 (0.39) SLC6A9CYP3A4
SCHEMBL988862 0.76 SLC6A9 (0.65) SLC6A9CYP3A4NPC1
SCHEMBL988895 0.76 SLC6A9 (0.71) SLC6A9CYP3A4NPC1
Hydrochloric Acid SCHEMBL989909 0.75 SLC6A9 (0.64) SLC6A9CYP3A4NPC1
SCHEMBL989560 0.75 F10 (0.42) NPC1
SCHEMBL989898 0.75 PDK2 (0.39) SLC6A9CYP3A4NPC1BDKRB1

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-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 — — EP disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 — — WO disclosed