SCHEMBL7273283

SCHEMBL7273283

CNCCCCc1nc2ccccc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.75
PKM P14618 1/20 0.62
HTT P42858 1/20 0.57
DDAH1 O94760 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.53
PDE10A Q9Y233 1/20 0.52
CHRM1 P11229 1/20 0.51

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
SCHEMBL7265452 0.98 POLB (0.73) POLBPKMHTTDDAH1NPC1
SCHEMBL7267160 0.98 POLB (0.73) POLBPKMHTTDDAH1NPC1
SCHEMBL7275409 0.98 POLB (0.73) POLBPKMHTTDDAH1NPC1
SCHEMBL1884521 0.95 POLB (0.72) POLBPKMHTTDDAH1NPC1
SCHEMBL2851401 0.89 PKM (0.68) POLBPKMHTTDDAH1NPC1
Hydrochloric Acid SCHEMBL8323737 0.87 PKM (0.71) POLBPKMHTTDDAH1NPC1
SCHEMBL7006523 0.87 POLB (1.00) POLBPKMDDAH1NPC1RAB9A
SCHEMBL7034291 0.85 POLB (0.66) POLBPKMHTTDDAH1NPC1
SCHEMBL7854826 0.85 POLB (0.96) POLBPKMDDAH1NPC1RAB9A
SCHEMBL30701864 0.85 POLB (0.96) POLBPKMDDAH1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4808605-A Tetrahydronaphthalene derivatives as calcium antagonists HOFFMANN-LA ROCHE INC. (US) 1989-02-28 US disclosed
EP-0268148-A1 Tetrahydronaphthalene derivatives and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP disclosed