SCHEMBL9330571

SCHEMBL9330571

CC(Br)C(O)COc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.68
NR2E1 Q9Y466 7/20 0.62
CYP1A2 P05177 4/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
ADRB2 P07550 4/20 0.59
ADRB1 P08588 4/20 0.59
SIGMAR1 Q99720 4/20 0.59
SLC6A4 P31645 3/20 0.59
HTR2B P41595 3/20 0.59
ALDH1A1 P00352 3/20 0.59
ADRB3 P13945 3/20 0.59
HTR2A P28223 3/20 0.59
HTR2C P28335 3/20 0.59
HTR6 P50406 3/20 0.59
TSHR P16473 3/20 0.59
HTR1B P28222 3/20 0.59
SCN1A P35498 2/20 0.59

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
SCHEMBL7973992 0.83 NR2E1 (0.60) CYP2D6NR2E1CYP1A2KDM4EMEN1
SCHEMBL1264131 0.83 NR2E1 (0.69) CYP2D6NR2E1CYP1A2KDM4EMEN1
Ammonia Solution, Strong SCHEMBL7463483 0.82 NR2E1 (0.68) CYP2D6NR2E1CYP1A2KDM4EMEN1
Hydrochloric Acid SCHEMBL28293639 0.82 NR2E1 (0.68) CYP2D6NR2E1CYP1A2KDM4EMEN1
SCHEMBL27865906 0.82 CYP2D6 (0.64) CYP2D6NR2E1CYP1A2KDM4EMEN1
SCHEMBL10542885 0.82 CYP2D6 (0.64) CYP2D6NR2E1CYP1A2KDM4EMEN1
SCHEMBL8761918 0.81 NR2E1 (0.67) CYP2D6NR2E1CYP1A2KDM4EMEN1
SCHEMBL13727780 0.80 NR2E1 (0.60) CYP2D6NR2E1CYP1A2KDM4EMEN1
SCHEMBL1394219 0.80 CYP1A2 (0.83) CYP2D6NR2E1CYP1A2KDM4EMEN1
SCHEMBL29437208 0.80 CYP1A2 (0.83) CYP2D6NR2E1CYP1A2KDM4EMEN1

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-0587823-A1 USING THE IMMUNOACTIVATING ACTIVITY OF 3-NAPHTHYLOXY-2-HYDROXY-PROPYLAMINES, IN PARTICULAR FOR PROVIDING CELL IMMUNITY, E.G. AGAINST VIRAL INFECTIONS PEUSCHEL, Karin, Elisabeth (CH) 1994-03-23 EP disclosed
WO-1993013049-A1 USING THE IMMUNOACTIVATING ACTIVITY OF 3-NAPHTHYLOXY-2-HYDROXY-PROPYLAMINES, IN PARTICULAR FOR PROVIDING CELL IMMUNITY, E.G. AGAINST VIRAL INFECTIONS PEUSCHEL KARIN ELISABETH (CH) 1993-07-08 WO disclosed