SCHEMBL11525866

SCHEMBL11525866

Cc1cc(C)cc(N2CCN(c3cc(Cl)cc(Cl)c3)C2C(Cl)(Cl)Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
ADRB1 P08588 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
FFAR4 Q5NUL3 1/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CCR6 P51684 1/20 0.32
PHGDH O43175 1/20 0.32
NOTUM Q6P988 1/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 0.91 NPSR1 (0.34) ADRB1KMT2ANPSR1HSP90AA1CCR6
SCHEMBL1012948 0.89 ADRB1 (0.44) CHRM2CHRM4ADRB1CHRM1CHRM3
SCHEMBL11527050 0.87 MAPT (0.40) CHRM2CHRM4ADRB1CHRM1CHRM3
SCHEMBL11528889 0.82 MAPT (0.39) ADRB1KMT2ANPSR1TSHRMAPT
SCHEMBL11525941 0.78 HTR3E (0.44) NPSR1TSHRMAPT
SCHEMBL1012216 0.75 MAPT (0.49) ADRB1KMT2ANPSR1HSP90AA1NOTUM
SCHEMBL11527859 0.75 MAPT (0.42) KMT2ANPSR1MAPTHTTSMN1; SMN2
SCHEMBL11529526 0.74 HTR2A (0.44) ADRB1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL1011864 0.73 MAPT (0.47) ADRB1KMT2ANPSR1HSP90AA1MAPT
SCHEMBL1010858 0.72 NPSR1 (0.33) NPSR1MAPTHTTSMN1; SMN2

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