SCHEMBL6024993

SCHEMBL6024993

CC1(C)C[C@H](N)c2cc(Cl)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.48
CNR2 P34972 4/20 0.48
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TRPV1 Q8NER1 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2A P28223 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
GABRA1 P14867 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL3409160 1.00 CNR1 (0.48) CNR1CNR2LMNATP53HTT
SCHEMBL3321804 0.87 CNR1 (0.48) CNR1CNR2TRPV1SIRT2SIRT1
SCHEMBL3321810 0.87 CNR1 (0.48) CNR1CNR2TRPV1SIRT2SIRT1
SCHEMBL7479500 0.82 HTR2C (0.42) CNR1CNR2LMNATP53HTT
SCHEMBL3322619 0.81 TRPV1 (0.41) KCNE1KCNQ1TRPV1KDM1A
SCHEMBL6024969 0.81 BACE1 (0.37) CNR1CNR2LMNAHTTTRPV1
SCHEMBL3322624 0.81 TRPV1 (0.41) KCNE1KCNQ1TRPV1KDM1A
Hydrochloric Acid SCHEMBL6561142 0.81 HTR2C (0.41) CNR1CNR2LMNATP53HTT
SCHEMBL6025054 0.81 BACE1 (0.37) CNR1CNR2LMNAHTTTRPV1
SCHEMBL6024931 0.81 TRPV1 (0.41) KCNE1KCNQ1TRPV1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716141-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF Université de Liège (BE) 2006-11-02 EP disclosed
WO-2005075463-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIVERSITE DE LIEGE (BE) 2005-08-18 WO disclosed