SCHEMBL31146869

SCHEMBL31146869

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3[nH]cnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.48
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL6095297 0.82 LMNA (0.46) QPCTLMNAMAPTCYP1A2CYP2D6
SCHEMBL31146886 0.79 LMNA (0.42) QPCTLMNAMAPTCYP1A2CYP2D6
SCHEMBL13667385 0.74 NPC1 (0.43) MAPTCYP3A4KMT2AMMP12
SCHEMBL2059315 0.74 MAPT (0.54) QPCTMAPTMEN1KMT2A
SCHEMBL251127 0.73 PIK3CA (0.44) QPCTLMNAMAPTCYP1A2CYP2D6
SCHEMBL20983909 0.73 QPCT (0.47) QPCTLMNAMAPTCYP1A2CYP2D6
SCHEMBL31146891 0.72 LMNA (0.49) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL20516746 0.71 LMNA (0.48) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL30742985 0.71 LMNA (0.48) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL30600902 0.71 LMNA (0.48) LMNAMAPTCYP1A2CYP2D6TSHR

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-4680606-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS AtmosR (FR) 2026-01-21 EP disclosed
WO-2024194175-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS ATMOSR (FR) 2024-09-26 WO disclosed