SCHEMBL7326393

SCHEMBL7326393

CC(C)(CCCOc1ccc(Cc2ccccc2)cc1)OC(=O)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
LTA4H P09960 11/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPY1R P25929 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL7327514 0.94 LTA4H (0.52) HRH3LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7331294 0.91 NPC1 (0.57) HRH3LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7324866 0.87 PPARA (0.58) LTA4HNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7330398 0.81 HRH3 (0.60) HRH3LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7324364 0.80 HRH3 (0.59) HRH3LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7449615 0.79 HPGD (0.54) HRH3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7328905 0.79 KDM4E (0.53) HRH3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7326386 0.76 GPR119 (0.61) LTA4HKDM4E
SCHEMBL5646504 0.75 KMT2A (0.70) HRH3LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7326383 0.75 LTA4H (0.49) LTA4HALDH1A1KDM4E

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-0674514-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994013291-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO disclosed