SCHEMBL8860874

SCHEMBL8860874

CCCC(C)(C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.44
LMNA P02545 1/20 0.40
HRH1 P35367 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL27450995 0.88 RIPK1 (0.41) RIPK1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL9493203 0.82 LMNA (0.43) RIPK1LMNAHRH1SLC6A3CACNA1F
SCHEMBL8607432 0.81 RIPK1 (0.42) RIPK1LMNAHRH1SLC6A3CACNA1F
SCHEMBL4356262 0.81 RIPK1 (0.42) RIPK1LMNAHRH1SLC6A3CACNA1F
SCHEMBL17854020 0.81 RIPK1 (0.47) RIPK1LMNAHRH1SLC6A3CACNA1F
SCHEMBL5164111 0.79 RIPK1 (0.48) RIPK1LMNASLC6A3KCNH2CYP3A4
SCHEMBL28465024 0.79 RIPK1 (0.41) RIPK1LMNAHRH1SLC6A3CACNA1F
SCHEMBL414520 0.77 LMNA (0.43) RIPK1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8634300 0.76 RIPK1 (0.44) RIPK1LMNAHRH1SLC6A3CACNA1F
SCHEMBL4329684 0.76 RIPK1 (0.41) RIPK1LMNAHRH1SLC6A3CACNA1F

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
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed