SCHEMBL7809140

SCHEMBL7809140

N#CC1(c2cccc(O)c2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
OPRD1 P41143 2/20 0.42
WDR5 P61964 1/20 0.40
OPRM1 P35372 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
OPRK1 P41145 1/20 0.38
SLC22A1 O15245 1/20 0.38
CHRM2 P08172 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 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
SCHEMBL1008115 0.93 KMT2A (0.45) KMT2AOPRD1WDR5OPRM1ALDH1A1
SCHEMBL1599547 0.85 KMT2A (0.40) KMT2AOPRD1OPRM1CA12CA2
SCHEMBL11071644 0.83 PDE4A (0.44) KMT2AOPRD1OPRM1MEN1CA12
SCHEMBL3225917 0.79 KMT2A (0.43) KMT2AWDR5OPRM1ALDH1A1MEN1
SCHEMBL3444817 0.79 SLC6A4 (0.46) KMT2AOPRM1SLC6A4
SCHEMBL624786 0.79 KMT2A (0.47) KMT2AOPRM1ACHESLC6A4
SCHEMBL626449 0.79 KDM1A (0.43) KMT2AOPRM1ALDH1A1NPC1RAB9A
SCHEMBL1492681 0.79 WDR5 (0.46) KMT2AWDR5OPRM1ALDH1A1MEN1
SCHEMBL2474626 0.77 ESR1 (0.48) KMT2AWDR5OPRM1ALDH1A1MEN1
SCHEMBL2518751 0.77 KMT2A (0.51) KMT2AWDR5ALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed