SCHEMBL9872271

SCHEMBL9872271

[CH2]CCOCCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.45
LTA4H P09960 1/20 0.42
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
HIF1A Q16665 1/20 0.40
HRH1 P35367 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL6007690 0.89 LOXL2 (0.54) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL595455 0.78 CA1 (0.44) LOXL2ALDH1A1HRH3TDP1HSD17B10
SCHEMBL15251621 0.77 LOXL2 (0.39) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL9755554 0.77 CHRNA7 (0.52) CYP1A2CYP2D6HRH1HRH3TDP1
SCHEMBL59586 0.77
SCHEMBL2149218 0.77 LOXL2 (0.46) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL2570882 0.76 HRH1 (0.60) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL5402687 0.76 LOXL2 (0.50) LOXL2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL9021254 0.75 TAAR1 (0.45) HRH1HRH3
SCHEMBL22268002 0.75 CYP19A1 (0.53) LOXL2LTA4HCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP claimed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP claimed
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP disclosed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP disclosed