SCHEMBL6598521

SCHEMBL6598521

CN(C)CCN(CN)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.54
CAMKK2 Q96RR4 1/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
PRMT8 Q9NR22 1/20 0.53
AOC3 Q16853 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
SIGMAR1 Q99720 1/20 0.48
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL18157879 0.88 CALM1 (0.65) CALM1CAMKK2ALDH1A1TSHRCARM1
SCHEMBL524817 0.88 CALM1 (0.65) CALM1CAMKK2ALDH1A1TSHRCARM1
SCHEMBL525423 0.82 TSHR (0.56) CALM1CAMKK2ALDH1A1TSHRTAAR1
SCHEMBL16155087 0.81 AOC3 (0.52) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL13962686 0.81 CALM1 (0.58) CALM1CAMKK2ALDH1A1TSHRCARM1
SCHEMBL21872330 0.81 CALM1 (0.54) CALM1CAMKK2ALDH1A1TSHRCARM1
SCHEMBL10039138 0.81 TAAR1 (0.67) CALM1CAMKK2ALDH1A1TSHRAOC3
SCHEMBL21872331 0.81 CALM1 (0.54) CALM1CAMKK2ALDH1A1TSHRCARM1
SCHEMBL10039137 0.80 ALDH1A1 (0.58) CALM1CAMKK2ALDH1A1TSHRCARM1
SCHEMBL10039144 0.79 CALM1 (0.56) CALM1CAMKK2ALDH1A1TSHRCARM1

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-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed