SCHEMBL4409082

SCHEMBL4409082

O=C(NC1CCN(CCN2CCC(O)CC2)CC1)Oc1cc2c(OCc3ccoc3)cccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TERT O14746 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
FAAH O00519 3/20 0.33
MCHR1 Q99705 1/20 0.33
CCR5 P51681 1/20 0.33
HRH2 P25021 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ADRA2A P08913 1/20 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
SCHEMBL4403746 0.94 CHRM2 (0.36) SRD5A2MEN1KMT2ACHRM2CHRM1
SCHEMBL4405956 0.90 FAAH (0.34) SRD5A2MEN1KMT2ACHRM2CHRM1
SCHEMBL4411341 0.90 HTR1A (0.34) SRD5A2MEN1KMT2APDE3BPDE3A
SCHEMBL914670 0.87 SRD5A2 (0.43) SRD5A2MEN1KMT2ATMEM97ADRA2A
SCHEMBL4406699 0.84 KMT2A (0.34) SRD5A2MEN1KMT2ACHRM2CHRM1
SCHEMBL4396316 0.84 KMT2A (0.34) SRD5A2MEN1KMT2ACHRM2CHRM1
SCHEMBL4400766 0.84 TERT (0.37) TERTHTR2AFAAHADRA2AADRA2B
SCHEMBL4405632 0.84 MAOB (0.38) HTR2AMAOAMAOBADRA2AADRA2B
SCHEMBL4411388 0.84 CHRM2 (0.34) SRD5A2MEN1KMT2ACHRM2CHRM1
SCHEMBL4396602 0.83 SRD5A2 (0.47) SRD5A2MEN1KMT2ATMEM97FAAH

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-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed