SCHEMBL7273983

SCHEMBL7273983

[CH2]CCCCCOc1cc(C)nc(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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 SCHEMBL9013331 0.78 HTR6 (0.60) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL9013611 0.77 MAPT (0.54) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL27995023 0.76
SCHEMBL27994773 0.76
Hydrochloric Acid SCHEMBL9013362 0.76 MAPT (0.52) MEN1CYP1A2MAPTCYP2C9HPGD
SCHEMBL27994806 0.76
Hydrochloric Acid SCHEMBL9013554 0.76
SCHEMBL13603916 0.74 MEN1 (0.54) MEN1CYP1A2MAPTCYP2C9HPGD
Hydrochloric Acid SCHEMBL9013623 0.74
SCHEMBL8134255 0.74 MEN1 (0.70) MEN1CYP1A2MAPTCYP2C9HPGD

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-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP claimed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed