SCHEMBL7368237

SCHEMBL7368237

c1ccc2c(c1)oc1ccc(OCCC34CCCN(CC3)C4)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
HRH3 Q9Y5N1 8/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
XDH P47989 3/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MCHR1 Q99705 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
ACSL1 P33121 2/20 0.39
ACSL6 Q9UKU0 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL7369066 0.99 MAOB (0.44) MAOBHRH3BCHEACHEXDH
Hydrochloric Acid SCHEMBL7367169 0.94 LMNA (0.47) MAOBHRH3BCHEACHEXDH
Hydrochloric Acid SCHEMBL7365240 0.88 LMNA (0.45) MAOBHRH3BCHEACHEXDH
SCHEMBL7403528 0.72 LTA4H (0.50) HRH3ALDH1A1
SCHEMBL16806176 0.70 LMNA (0.60) MAOBHRH3BCHEACHEXDH
SCHEMBL7398784 0.70 HRH3 (0.83) MAOBHRH3BCHEACHEXDH
SCHEMBL10090415 0.70 LMNA (0.64) MAOBHRH3BCHEACHELMNA
SCHEMBL9870777 0.70 LMNA (0.60) MAOBHRH3BCHEACHEXDH
SCHEMBL10090173 0.70 LMNA (0.60) MAOBHRH3BCHEACHEXDH
Hydrochloric Acid SCHEMBL7404288 0.69 HRH3 (0.81) MAOBHRH3BCHEACHEXDH

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
EP-0625981-A1 AZABICYCLO COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-30 EP claimed
WO-1993015080-A1 AZABICYCLO COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO claimed