SCHEMBL7280705

SCHEMBL7280705

O=C(O)CCCCC(=O)NCCc1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.77
HDAC1 Q13547 4/20 0.77
HDAC2 Q92769 4/20 0.77
HDAC10 Q969S8 4/20 0.77
HDAC11 Q96DB2 4/20 0.77
HDAC8 Q9BY41 4/20 0.77
HDAC6 Q9UBN7 4/20 0.77
NCOR2 Q9Y618 3/20 0.77
LMNA P02545 1/20 0.77
TSHR P16473 1/20 0.77
HDAC4 P56524 3/20 0.73
HDAC9 Q9UKV0 3/20 0.73
F13A1 P00488 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ATM Q13315 1/20 0.63
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
TRPV1 Q8NER1 1/20 0.62

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
SCHEMBL7441298 0.98 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7441870 0.98 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7436977 0.98 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7440269 0.97 LMNA (0.82) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8356049 0.92 LMNA (0.85) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17117356 0.91 HDAC1 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4074353 0.91 HDAC3 (0.87) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8357788 0.90 LMNA (0.88) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL166980 0.89 L3MBTL1 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13073412 0.89 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 EP disclosed
US-5013760-A Phenylethylamine derivatives and pharmaceutical use FISONS PLC (GB) 1991-05-07 US disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
EP-0375668-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1990-06-27 EP disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
US-4912222-A Antihistamines related to cyproheptadine FISONS CORPORATION (US) 1990-03-27 US disclosed
WO-1989012443-A1 NOVEL DIBENZO-CYCLOHEPTENYL, -CYCLOHEPTYL AND -OXEPINYL AMINES HAVING ANTIHISTAMINIC PROPERTIES FISONS CORPORATION (US) 1989-12-28 WO disclosed
EP-0347123-A2 Dibenzo-cycloheptenyl, -cycloheptyl and -oxepinyl amines having antihistaminic properties FISONS CORPORATION (US) 1989-12-20 EP disclosed
US-4885313-A 3,4-Dihydroxyphenylethylamine derivatives and their use FISONS PLC (GB) 1989-12-05 US disclosed
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 US disclosed
US-4868306-A Compounds FISONS PLC (GB) 1989-09-19 US disclosed
US-4803225-A Dihydroxy-phenethylamino compounds useful as pharmaceuticals FISONS, PLC (GB) 1989-02-07 US disclosed
US-4791216-A Para ethyl amino phenol pharmaceutical compounds FISONS PLC (GB) 1988-12-13 US disclosed
US-4720586-A Substituted 3,4-dihydroxy-phenylethylamino compounds FISONS, PLC (GB) 1988-01-19 US disclosed
EP-0223598-A2 Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-05-27 EP disclosed
US-4657929-A Compounds FISONS PLC (GB) 1987-04-14 US disclosed
EP-0142283-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1985-05-22 EP disclosed
EP-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 EP disclosed