SCHEMBL8960045

SCHEMBL8960045

COc1ccc2c(c1OC)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
LMNA P02545 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
F3 P13726 2/20 0.41
CYP3A4 P08684 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL11626560 0.96 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3158365 0.88 KDM4E (0.56) KDM4EALDH1A1HPGDLMNAHTR2A
Ammonia Solution, Strong SCHEMBL28905550 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDLMNAHTR2A
SCHEMBL4127686 0.84 ADRA1A (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17770807 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19932028 0.82 CES1 (0.39) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL5901047 0.81 F3 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11627586 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HPGDADRA1DADRA1A
SCHEMBL21872026 0.80 HTR2A (0.42) ALDH1A1MEN1KMT2AADRA1ALMNA
SCHEMBL9814145 0.79 ADRA1D (0.43) KDM4EALDH1A1HPGDMEN1KMT2A

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-0534536-B1 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON SPA (IT) 1996-01-31 EP disclosed
US-5221770-A PROCESS FOR THE PREPARATION OF 2-AMINO-5,6-DIMETHOXY-TETRALIN ZAMBON GROUP S.P.A. (IT) 1993-06-22 US disclosed
EP-0534536-A2 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON GROUP S.p.A. (IT) 1993-03-31 EP disclosed