SCHEMBL6985316

SCHEMBL6985316

NC(=O)OC1CCCCCNC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.44
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL28513096 0.98 CCR2 (0.41) CCR2ALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL28513095 0.98 CCR2 (0.41) CCR2ALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL4977283 0.93 L3MBTL1 (0.42) CCR2ALDH1A1KDM4EL3MBTL1
SCHEMBL28399036 0.93 L3MBTL1 (0.42) CCR2ALDH1A1KDM4EL3MBTL1
SCHEMBL28830363 0.85 L3MBTL1 (0.33) CCR2L3MBTL1
SCHEMBL28830362 0.85 L3MBTL1 (0.33) CCR2L3MBTL1
SCHEMBL27891475 0.82 CCR2 (0.46) CCR2L3MBTL1RAB9ANPC1
SCHEMBL17817926 0.77 L3MBTL1 (0.43) CCR2ALDH1A1L3MBTL1
SCHEMBL9710391 0.77 L3MBTL1 (0.43) CCR2ALDH1A1L3MBTL1
SCHEMBL17817921 0.77 L3MBTL1 (0.43) CCR2ALDH1A1L3MBTL1

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-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed