SCHEMBL11117593

SCHEMBL11117593

CCCCNCCN(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.55
TMEM97 Q5BJF2 7/20 0.55
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
KCNH2 Q12809 1/20 0.45
APP P05067 1/20 0.45
REN P00797 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
ACKR3 P25106 1/20 0.44

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
SCHEMBL15966134 0.95 SIGMAR1 (0.60) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL15966141 0.94 SIGMAR1 (0.58) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL15966137 0.94 SIGMAR1 (0.58) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL15966136 0.94 SIGMAR1 (0.58) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL15966135 0.94 SIGMAR1 (0.58) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL11117996 0.90 CARM1 (0.55) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL11117998 0.84 CARM1 (0.56) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL13991801 0.84 CARM1 (0.56) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL1638713 0.82 SIGMAR1 (0.67) SIGMAR1TMEM97CARM1PRMT6PRMT8
SCHEMBL16081555 0.81 CARM1 (0.53) SIGMAR1TMEM97CARM1PRMT6PRMT8

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
EP-0041757-B1 ETHYLENDIAMINE DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND INTERMEDIATES FOR THEIR PREPARATION Simes S.p.A. (IT) 1984-11-07 EP disclosed