SCHEMBL11577368

SCHEMBL11577368

COC(C)N(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 6/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ROCK2 O75116 1/20 0.35
SRC P12931 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
CA4 P22748 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
SCHEMBL7733728 0.88 ALDH1A1 (0.36) HTTROCK2ALDH1A1
SCHEMBL19658031 0.79 THRB (0.37) MEN1HTTKMT2ANPSR1ALDH1A1
SCHEMBL8652899 0.79 CA4 (0.35) MEN1HTTKMT2ANPSR1CHRNB2
SCHEMBL7733732 0.79 ALDH1A1 (0.31) SLC6A2SLC6A4KMT2AALDH1A1TP53
SCHEMBL28135857 0.79 MEN1 (0.39) SLC6A2SLC6A4MEN1HTTKMT2A
SCHEMBL11677647 0.78 MAOA (0.42) SLC6A2SLC6A4MEN1HTTKMT2A
SCHEMBL1637983 0.77 L3MBTL1 (0.39) SLC6A2SLC6A4MEN1HTTKMT2A
SCHEMBL11676351 0.77 SLC6A2 (0.49) SLC6A2SLC6A4KMT2ASRCALDH1A1
SCHEMBL28167241 0.76 ALDH1A1 (0.33) MEN1HTTKMT2ANPSR1CHRNB2
SCHEMBL7026201 0.76 MEN1 (0.37) MEN1HTTKMT2ANPSR1ALDH1A1

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-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed