SCHEMBL9507193

SCHEMBL9507193

CCC(C)COCc1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
TACR1 P25103 7/20 0.40
CYP19A1 P11511 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TLR8 Q9NR97 1/20 0.38
MCHR1 Q99705 1/20 0.38
ADRB2 P07550 4/20 0.37

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
SCHEMBL7600364 0.85 TACR1 (0.46) MAOBMAOATACR1CYP19A1
SCHEMBL7553204 0.84 TACR1 (0.50) MAOBMAOATACR1CYP19A1TP53
SCHEMBL6255049 0.82 ADRB2 (0.44) MAOBMAOATACR1CYP19A1ADRB2
SCHEMBL6252491 0.82 ADRB2 (0.44) MAOBMAOATACR1CYP19A1ADRB2
SCHEMBL6253341 0.79 ADRB2 (0.42) MAOBMAOATACR1CYP19A1ADRB2
SCHEMBL6251446 0.79 ADRB2 (0.42) MAOBMAOATACR1CYP19A1ADRB2
SCHEMBL6252747 0.79 ADRB2 (0.42) MAOBMAOATACR1CYP19A1ADRB2
SCHEMBL8011823 0.79 CYP3A4 (0.50) MAOBMAOACYP19A1TP53CYP3A4
SCHEMBL13003073 0.79 TSHR (0.54) TACR1
SCHEMBL10052366 0.79 TSHR (0.54) TACR1

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-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP claimed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US claimed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP claimed
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP disclosed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US disclosed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP disclosed