SCHEMBL3356925

SCHEMBL3356925

C=CC([N]CC(C)NCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
LMNA P02545 2/20 0.33
ADRA1A P35348 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 3/20 0.33
HTR1A P08908 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADRA2B P18089 2/20 0.33
HRH1 P35367 2/20 0.33
OPRK1 P41145 2/20 0.33
CACNA1C Q13936 2/20 0.33
SCN5A Q14524 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL488830 0.70 CYP2C19 (0.39) SMN1; SMN2HRH1CYP3A4HTR2ACYP2C19
SCHEMBL3261585 0.66 CYP2C19 (0.36) LMNASLC6A3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL1469953 0.65 CYP3A4 (0.61) SIGMAR1LMNAADRA1ASLC6A3KCNH2
SCHEMBL8366747 0.65 CYP3A4 (0.61) SIGMAR1LMNAADRA1ASLC6A3KCNH2
SCHEMBL9019451 0.65 CYP3A4 (0.61) SIGMAR1LMNAADRA1ASLC6A3KCNH2
SCHEMBL27850764 0.63 SIGMAR1 (0.45) SIGMAR1LMNAADRA1ASLC6A3KCNH2
SCHEMBL3258485 0.63 KDM4E (0.40) LMNACYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30104387 0.63 CYP3A4 (0.33) CYP3A4CYP2C19ALDH1A1MEN1ALOX15
SCHEMBL2587221 0.63 MIF (0.42) LMNASMN1; SMN2ADRA2CADRA2ACYP2C19
SCHEMBL15295377 0.63 CYP3A4 (0.33) CYP3A4CYP2C19ALDH1A1MEN1ALOX15

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
US-8505840-B2 Method for modifying nomal clay and a method for producing composite elastomer from the clay PHOMI MCM CO., LTD. (CN) 2013-08-13 US disclosed
US-20100098495-A1 Method for modifying Nomal Clay and a method for Producing Composite Elastomer from the Clay PHOMI MCM CO., LTD. (CN) 2010-04-22 US disclosed