SCHEMBL11528889

SCHEMBL11528889

Cc1cc(C)cc(N2CCN(c3ccccc3)C2C(Cl)(Cl)Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ADRB1 P08588 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 2/20 0.34
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 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
SCHEMBL1012161 0.90 NPSR1 (0.34) MAPTALDH1A1TSHRPOLBNPSR1
SCHEMBL11530804 0.87 MAPT (0.46) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL1012009 0.86 MAPT (0.44) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL1012216 0.83 MAPT (0.49) MAPTTSHRNPSR1ADRB1SMN1; SMN2
SCHEMBL11525866 0.82 CHRM2 (0.37) MAPTTSHRNPSR1ADRB1SMN1; SMN2
SCHEMBL1011864 0.79 MAPT (0.47) MAPTALDH1A1NPSR1ADRB1SMN1; SMN2
SCHEMBL1010053 0.78 DRD4 (0.40) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL11525941 0.77 HTR3E (0.44) MAPTTSHRPOLBNPSR1L3MBTL1
SCHEMBL11527050 0.76 MAPT (0.40) MAPTALDH1A1POLBNPSR1ADRB1
SCHEMBL11529526 0.76 HTR2A (0.44) MAPTALDH1A1KDM4EPOLBADRB1

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-4161528-A INSECTICIDES; MITICIDES CELAMERCK GMBH & CO. KG. (DE) 1979-07-17 US disclosed