SCHEMBL14200624

SCHEMBL14200624

CCCCc1cncnc1N(C(=O)CC(C)(C)C)C(C)CCC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ GABRB2 P47870 1/20 0.30
▸ GABRA4 P48169 1/20 0.30
▸ GABRE P78334 1/20 0.30
▸ GABRA6 Q16445 1/20 0.30
▸ GABRG1 Q8N1C3 1/20 0.30
▸ GABRG3 Q99928 1/20 0.30
▸ GABRQ Q9UN88 1/20 0.30

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
SCHEMBL14200602 0.93 — —
SCHEMBL14200652 0.91 — —
SCHEMBL14200610 0.90 NPC1 (0.31) NPC1HPGDRAB9AGABRPGABRD
SCHEMBL14229044 0.87 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14200639 0.83 — —
SCHEMBL14229542 0.80 PSMB5 (0.31) —
SCHEMBL14200606 0.80 — —
SCHEMBL14200621 0.79 NPC1 (0.33) NPC1HPGDRAB9AGABRPGABRD
SCHEMBL14200620 0.79 MLYCD (0.34) NPC1HPGDRAB9AGABRPGABRD
SCHEMBL14229172 0.77 — —

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed
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