SCHEMBL4534040

SCHEMBL4534040

N#CC1(c2ccccc2)CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.O=C(c1ccc2[nH]ccc2c1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.57
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
MAPK14 Q16539 1/20 0.49
OXTR P30559 1/20 0.46
FASN P49327 2/20 0.44
GHSR Q92847 2/20 0.44
MGLL Q99685 1/20 0.44
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CCR3 P51677 1/20 0.42

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
SCHEMBL3457697 0.92 MAPK14 (0.57) CNR1CNR2CA12CA1CA2
SCHEMBL3455294 0.86 MAPK14 (0.63) CNR1CNR2CA12CA1CA2
SCHEMBL22652494 0.73 MAPK14 (0.57) MAPK14OXTRCCR3
SCHEMBL23898957 0.73 F11 (1.00) F11CA12CA1CA2CA7
SCHEMBL30434722 0.73 F11 (1.00) F11CA12CA1CA2CA7
SCHEMBL1063008 0.71 MAPK14 (0.69) CA12CA1CA2CA7CA9
SCHEMBL8161869 0.71 CA12 (0.72) F11CA12CA1CA2CA7
SCHEMBL30434910 0.71 F11 (1.00) F11CA12CA1CA2CA7
SCHEMBL23899081 0.71 F11 (1.00) F11CA12CA1CA2CA7
SCHEMBL27297526 0.71 NPC1 (0.70) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009073460-A2 INHIBITION OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 FOR OCULAR NEUROPROTECTION BAUSCH & LOMB INCORPORATED (US) 2009-06-11 WO disclosed