SCHEMBL8200225

SCHEMBL8200225

[CH2]c1ccccc1OCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
HTR2C P28335 3/20 0.46
RIPK1 Q13546 1/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
FAAH O00519 1/20 0.45
ACHE P22303 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SLC6A4 P31645 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL6497097 0.98 MCHR1 (0.48) MCHR1HTR2CRIPK1CNR1CNR2
SCHEMBL3067135 0.91 RIPK1 (0.53) MCHR1HTR2CRIPK1SLC6A4
SCHEMBL9370895 0.79 MCHR1 (0.56) MCHR1HTR2CRIPK1CNR1CNR2
SCHEMBL5673940 0.79 ALDH1A1 (0.59) MCHR1HTR2CRIPK1CNR1CNR2
SCHEMBL28729860 0.79 MCHR1 (0.49) MCHR1HTR2CRIPK1CNR1CNR2
SCHEMBL79139 0.79 GAA (0.50) MCHR1HTR2CRIPK1CNR1CNR2
SCHEMBL34475634 0.79 MCHR1 (0.49) MCHR1HTR2CRIPK1CNR1CNR2
SCHEMBL5777914 0.79 LMNA (0.50) MCHR1HTR2CRIPK1CNR1CNR2
SCHEMBL1988972 0.78 SRC (0.46) MCHR1HTR2CRIPK1CNR1CNR2
SCHEMBL14950871 0.78 MCHR1 (0.55) MCHR1HTR2CRIPK1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687686-B1 AUREOBASIDINS TAKARA SHUZO CO (JP) 2000-08-30 EP disclosed
EP-0687686-B1 AUREOBASIDINS TAKARA SHUZO CO (JP) 2000-08-30 EP disclosed
EP-0687686-A4 AUREOBASIDINS TAKARA SHUZO CO (JP) 1998-05-20 EP disclosed
US-5698670-A FUNGICIDES TAKARA SHUZO CO., LTD. (JP) 1997-12-16 US disclosed
US-5698670-A FUNGICIDES TAKARA SHUZO CO., LTD. (JP) 1997-12-16 US disclosed
EP-0687686-A1 AUREOBASIDINS TAKARA SHUZO CO. LTD. (JP) 1995-12-20 EP disclosed
EP-0687686-A1 AUREOBASIDINS TAKARA SHUZO CO. LTD. (JP) 1995-12-20 EP disclosed
WO-1995018147-A1 AUREOBASIDINS TAKARA SHUZO CO., LTD. (JP) 1995-07-06 WO disclosed