SCHEMBL7809060

SCHEMBL7809060

CSc1cccc(C2(C#N)CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PIK3CD O00329 2/20 0.41
OPRM1 P35372 3/20 0.36
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
OPRL1 P41146 1/20 0.33
OPRD1 P41143 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL26808310 0.82 KMT2A (0.41) KMT2AOPRM1OPRD1ALOX5
SCHEMBL3272500 0.81 OPRM1 (0.41) OPRM1
SCHEMBL7811749 0.81 PIK3CD (0.39) KMT2APIK3CDOPRM1ALOX5
SCHEMBL3024988 0.81 PDE4A (0.44) KMT2AOPRM1OPRD1ALOX5
SCHEMBL13439854 0.80 PIK3CD (0.45) KMT2APIK3CDOPRM1PRKACAPRKACG
SCHEMBL3567445 0.80 ALOX5 (0.43) KMT2APIK3CDPRKACAPRKACGPRKACB
SCHEMBL1598590 0.78 KMT2A (0.41) KMT2APIK3CDOPRM1PRKACAPRKACG
SCHEMBL7808956 0.78 MAP3K12 (0.32) PIK3CDALOX5
SCHEMBL625294 0.77 ICMT (0.44) KMT2APIK3CDOPRM1
SCHEMBL1599547 0.77 KMT2A (0.40) KMT2APIK3CDOPRM1PRKACAPRKACG

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