SCHEMBL5215535

SCHEMBL5215535

CNc1cccc(N(C)c2cc[c]cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C2 P08235 1/20 0.33
EGFR P00533 2/20 0.33
SRC P12931 1/20 0.33
KDM1A O60341 1/20 0.32
HTT P42858 1/20 0.31
NR3C1 P04150 1/20 0.31
CHKA P35790 1/20 0.31
LMNA P02545 1/20 0.31
TNNI3K Q59H18 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7024769 0.81 NR3C2 (0.58) TSHRALDH1A1SMN1; SMN2NR3C2HTT
SCHEMBL31726567 0.75 ALDH1A1 (0.50) TSHRALDH1A1MAPTSMN1; SMN2EGFR
SCHEMBL1268756 0.75 ALDH1A1 (0.50) TSHRALDH1A1MAPTSMN1; SMN2EGFR
SCHEMBL693898 0.75 CHKA (0.42) ALDH1A1SMN1; SMN2NR3C2EGFRHTT
Hydrochloric Acid SCHEMBL11291701 0.74 ALDH1A1 (0.48) TSHRALDH1A1MAPTSMN1; SMN2EGFR
SCHEMBL9144890 0.71 BRD4 (0.41) TSHRMAPT
SCHEMBL6757753 0.70 POLB (0.46) MTNR1AMTNR1BTSHRALDH1A1MAPT
SCHEMBL24783814 0.69 CYP2D6 (0.39) TSHRALDH1A1MAPTSMN1; SMN2EGFR
SCHEMBL29947757 0.69 SIGMAR1 (0.47) TSHRALDH1A1EGFRSRCKDM1A
SCHEMBL21969636 0.68 TSHR (0.52) TSHRALDH1A1MAPTKDM1ANR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633733-A4 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF UNIV TENNESSEE RES CORP (US) 2007-02-28 EP disclosed
EP-1633733-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2006-03-15 EP disclosed
WO-2004113320-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2004-12-29 WO disclosed