SCHEMBL7419075

SCHEMBL7419075

CC(C)(C)OC(=O)CCN1CCC(CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HTR4 Q13639 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TP53 P04637 1/20 0.36
KCNA3 P22001 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TYMP P19971 1/20 0.35
KCNH2 Q12809 2/20 0.35
CHRM2 P08172 2/20 0.35
HTR1A P08908 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD2 P14416 2/20 0.35
ADRA2B P18089 2/20 0.35
CHRM3 P20309 2/20 0.35
ADRA1A P35348 2/20 0.35

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
SCHEMBL18716950 0.89 SMN1; SMN2 (0.44) SMN1; SMN2HTR4ALDH1A1TSHRCNR1
SCHEMBL17963509 0.89 SMN1; SMN2 (0.44) SMN1; SMN2HTR4ALDH1A1TSHRCNR1
SCHEMBL26088109 0.85 SMN1; SMN2 (0.55) SMN1; SMN2HTR4ALDH1A1TSHRCNR1
SCHEMBL26088570 0.84 SMN1; SMN2 (0.39) SMN1; SMN2HTR4ALDH1A1TSHRCNR1
SCHEMBL7341765 0.82 SMN1; SMN2 (0.51) SMN1; SMN2HTR4ALDH1A1TSHRCNR1
SCHEMBL4130481 0.81 HTR4 (0.46) SMN1; SMN2HTR4ACHEHRH3KCNH2
SCHEMBL6986660 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TSHRCNR1HRH3
SCHEMBL12813597 0.79 SMN1; SMN2 (0.43) SMN1; SMN2HTR4ALDH1A1TSHRCNR1
SCHEMBL12014400 0.79 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TSHRTP53POLB
SCHEMBL13510588 0.78 SMN1; SMN2 (0.36) SMN1; SMN2HTR4ALDH1A1TSHRCNR1

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-1173415-A1 DIPHENYLUREA DERIVATIVES AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000064866-A1 DIPHENYLUREA DERIVATIVES ASTRAZENECA AB (SE) 2000-11-02 WO disclosed