SCHEMBL7275635

SCHEMBL7275635

CN(CCn1c(=O)[nH]c2ccccc21)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 2/20 0.52
MAOB P27338 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
HTR7 P34969 3/20 0.49

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
Hydrochloric Acid SCHEMBL7265768 0.99 RAB9A (0.57) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL15255347 0.84 RAB9A (0.67) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL4419395 0.84 MEN1 (0.63) RAB9AMEN1CYP1A2KMT2ALMNA
Hydrochloric Acid SCHEMBL9725349 0.82 RAB9A (0.64) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL8248960 0.79 LMNA (0.64) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL7092639 0.78 RAB9A (0.67) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL9725381 0.78 RAB9A (0.71) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL3639398 0.78 OPRM1 (0.67) ALDH1A1
SCHEMBL7258664 0.77 RAB9A (0.58) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL17044905 0.77 RAB9A (0.52) RAB9AMEN1CYP1A2KMT2ALMNA

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-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