SCHEMBL8835248

SCHEMBL8835248

[CH2]CCCc1cccc2occc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 6/20 0.42
KCNA3 P22001 1/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FTO Q9C0B1 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
HDAC1 Q13547 1/20 0.34
SUZ12 Q15022 3/20 0.33
EZH2 Q15910 3/20 0.33
MCL1 Q07820 1/20 0.32
FADS1 O60427 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL2096511 0.93 EED (0.40) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL2094789 0.89 EED (0.44) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL2091923 0.84 KCNA3 (0.40) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL6952349 0.82 EED (0.42) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL2096585 0.82 EED (0.42) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL347860 0.82 MTNR1A (0.47) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL2095886 0.81 KCNA3 (0.43) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL2095736 0.81 EED (0.46) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL452968 0.78 EED (0.40) EEDKCNA3MTNR1AMTNR1BMAOA
SCHEMBL3793134 0.78 MTNR1A (0.49) EEDKCNA3MTNR1AMTNR1BMAOA

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
US-5606078-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-02-25 US disclosed
EP-0678514-A1 3,5-Disubstituted tetrahydrofuran-2-ones CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed