SCHEMBL7625864

SCHEMBL7625864

CCC[CH]N1CCCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
PIK3CD O00329 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL1219974 0.84 BRD4 (0.37) BRD4BRD2PIK3CDLMNACA12
SCHEMBL430003 0.80 ALOX5 (0.41) BRD4BRD2FAAHMGLL
SCHEMBL646809 0.78
SCHEMBL7799656 0.76 PIK3CD (0.39) BRD4BRD2PIK3CDLMNACA12
SCHEMBL7799654 0.76 PIK3CD (0.39) BRD4BRD2PIK3CDLMNACA12
SCHEMBL5800684 0.74 FAAH (0.39) PIK3CDL3MBTL1FAAHMGLL
SCHEMBL7793984 0.73 PIK3CD (0.36) BRD4BRD2PIK3CDLMNACA12
SCHEMBL7793982 0.73 PIK3CD (0.36) BRD4BRD2PIK3CDLMNACA12
SCHEMBL1435579 0.73
SCHEMBL7799933 0.72 L3MBTL1 (0.38) BRD4BRD2PIK3CDLMNACA12

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
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
EP-1106614-A1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP disclosed