SCHEMBL7370495

SCHEMBL7370495

CC(C)COc1ccccc1N(CCCNCCc1ccccc1)C(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.42
▸ ADRB3 P13945 2/20 0.41
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TRPC6 Q9Y210 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAD52 P43351 2/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
Fumaric Acid SCHEMBL9427564 0.96 MAPK14 (0.40) MAPK14ADRB3NPC1RAB9ATRPC6
Fumaric Acid SCHEMBL9427555 0.96 MAPK14 (0.40) MAPK14ADRB3NPC1RAB9ATRPC6
SCHEMBL9427352 0.88 NPC1 (0.42) MAPK14ADRB3NPC1RAB9ATRPC6
Oxalic Acid SCHEMBL9427521 0.88 KDM4E (0.41) MAPK14ADRB3NPC1RAB9ATRPC6
SCHEMBL7343376 0.85 SMN1; SMN2 (0.43) MAPK14NPC1RAB9ATRPC6MAPT
SCHEMBL7341049 0.85 MAPK14 (0.43) MAPK14NPC1RAB9ATRPC6MAPT
SCHEMBL9427560 0.81 ADRB3 (0.40) ADRB3ADRB1SIGMAR1MEN1KMT2A
SCHEMBL7343184 0.80 KCNH2 (0.49) NPC1RAB9ATRPC6MAPTSMN1; SMN2
Oxalic Acid SCHEMBL9427500 0.80 KDM4E (0.47) TRPC6MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL7350138 0.78 MAPK14 (0.43) MAPK14NPC1RAB9ATRPC6MAPT

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-0582506-B1 Tetrahydronaphtalene derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1996-02-28 — — EP disclosed
EP-0582506-A1 Tetrahydronaphtalene derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1994-02-09 — — EP disclosed
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