SCHEMBL7895657

SCHEMBL7895657

O=C(NCc1ccccc1)c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.59
CHRM3 P20309 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CHRM1 P11229 2/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
HTR2A P28223 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
PMP22 Q01453 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7899463 0.89 HRH4 (0.59) HRH4CHRM3ALDH1A1MEN1KMT2A
SCHEMBL7897827 0.86 HRH4 (0.56) HRH4CHRM3ALDH1A1MEN1KMT2A
SCHEMBL7905704 0.83 HRH4 (0.53) HRH4CHRM3ALDH1A1MEN1KMT2A
SCHEMBL7899467 0.83 HRH4 (0.59) HRH4CHRM3ALDH1A1MEN1KMT2A
SCHEMBL7904539 0.83 HRH4 (0.59) HRH4CHRM3ALDH1A1MEN1KMT2A
SCHEMBL7903151 0.82 HRH4 (0.56) HRH4CHRM3ALDH1A1MEN1KMT2A
SCHEMBL7907196 0.81 HRH4 (0.57) HRH4CHRM3ALDH1A1MEN1KMT2A
SCHEMBL7904003 0.80 HRH4 (0.56) HRH4CHRM3ALDH1A1MEN1KMT2A
SCHEMBL7899478 0.76 CNR1 (0.64) ALDH1A1MEN1KMT2ADRD2LMNA
SCHEMBL7903719 0.76 HRH4 (0.58) HRH4CHRM3ALDH1A1MEN1KMT2A

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
WO-2010062565-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2010-06-03 WO disclosed