SCHEMBL11567149

SCHEMBL11567149

CC(=O)C1(Nc2ccccc2)CCN(CCc2ccccc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA4 P22748 5/20 0.51
CA5A P35218 5/20 0.51
CA7 P43166 5/20 0.51
CA9 Q16790 5/20 0.51
CA13 Q8N1Q1 5/20 0.51
CA14 Q9ULX7 5/20 0.51
FAAH O00519 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
NPFFR1 Q9GZQ6 3/20 0.40
NPFFR2 Q9Y5X5 3/20 0.40
OPRM1 P35372 5/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL11562909 0.90 CA12 (0.50) CA12CA1CA2CA4CA5A
SCHEMBL11567856 0.89 CA12 (0.49) CA12CA1CA2CA4CA5A
SCHEMBL9152974 0.84 CA12 (0.61) CA12CA1CA2CA4CA5A
SCHEMBL11564609 0.83 SIGMAR1 (0.52) CA12CA1CA2CA4CA5A
SCHEMBL11566308 0.79 CA12 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL11566590 0.79 CA12 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL11567027 0.79 CA12 (0.59) CA12CA1CA2CA4CA5A
SCHEMBL800532 0.78 OPRM1 (0.50) CA12CA1CA2CA4CA5A
SCHEMBL11567168 0.78 CA12 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL11566162 0.78 CA12 (0.54) CA12CA1CA2CA4CA5A

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
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed