SCHEMBL8299798

SCHEMBL8299798

O=C1CC(CCO)CCN1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
BRD4 O60885 1/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
AKR1C3 P42330 1/20 0.38
METAP2 P50579 1/20 0.38
MT-CO2 P00403 1/20 0.38
ALOX5 P09917 1/20 0.38
MGLL Q99685 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 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
SCHEMBL1660708 0.88 NPC1 (0.43) BRD4POLBNPC1MEN1RAB9A
SCHEMBL1661092 0.81 BPTF (0.44) POLBNPC1MEN1RAB9AKMT2A
SCHEMBL22857686 0.80 CCR3 (0.49) MEN1KMT2A
SCHEMBL8420328 0.80 SLC18A3 (0.44) POLBNPC1MT-CO2ALOX5PDE4A
SCHEMBL14525339 0.78 NPC1 (0.40) POLBNPC1MEN1RAB9AKMT2A
SCHEMBL14525338 0.76 MTNR1A (0.57) BRD4POLBNPC1ACHE
SCHEMBL7326635 0.76 MMP3 (0.39) MMP3MMP8RAB9AMMP2MMP9
SCHEMBL24986731 0.75 NPC1 (0.44) POLBNPC1MEN1RAB9AKMT2A
SCHEMBL7576221 0.75 ROCK2 (0.44) POLBNPC1MEN1RAB9AKMT2A
SCHEMBL4105055 0.74 POLB (0.51) BRD4POLBNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965578-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-10-12 US disclosed
EP-0897303-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-02-24 EP disclosed
EP-0897303-A4 1999-02-24 EP disclosed
WO-1997036605-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed