SCHEMBL11060633

SCHEMBL11060633

CN(C)C(=O)n1cncc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
IDO1 P14902 1/20 0.45
LDLR P01130 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
HPGDS O60760 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 1/20 0.39
LIPE Q05469 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
MGLL Q99685 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL27564135 0.72 ALDH1A1 (0.38) CYP11B1CYP11B2BCHEACHEALDH1A1
SCHEMBL7512027 0.71 TSHR (0.54) CYP11B1CYP11B2IDO1LDLRPCSK9
SCHEMBL7167349 0.70 CYP11B1 (0.48) CYP11B1CYP11B2IDO1NPC1RAB9A
SCHEMBL28111042 0.68 CYP11B1 (0.41) CYP11B1CYP11B2IDO1RAB9AALDH1A1
SCHEMBL4011241 0.67 CYP11B1 (0.52) CYP11B1CYP11B2IDO1LDLRPCSK9
SCHEMBL972964 0.67 HPGDS (0.73) CYP11B1CYP11B2IDO1LDLRPCSK9
SCHEMBL5324373 0.67 CYP11B1 (0.60) CYP11B1CYP11B2IDO1HPGDSRAB9A
SCHEMBL12545573 0.67 CYP11B1 (0.55) CYP11B1CYP11B2IDO1LDLRPCSK9
SCHEMBL2181000 0.66 FAAH (0.64) NPC1RAB9ABCHEACHELIPE
SCHEMBL1950645 0.65 CYP11B1 (0.53) CYP11B1CYP11B2IDO1HPGDSRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4483898-A PERFLUOROBENZOIC ACID OR 1H, 1H-PENTADECAFLOOROOCTYL AMINE AS SPREADING INHIBITORS AT&T BELL LABORATORIES (US) 1984-11-20 US disclosed
EP-0103617-A4 LIQUIDS WITH REDUCED SPREADING TENDENCY. WESTERN ELECTRIC CO (US) 1984-09-13 EP disclosed
EP-0103617-A1 LIQUIDS WITH REDUCED SPREADING TENDENCY. WESTERN ELECTRIC CO (US) 1984-03-28 EP disclosed
WO-1983003210-A1 LIQUIDS WITH REDUCED SPREADING TENDENCY WESTERN ELECTRIC CO (US) 1983-09-29 WO disclosed