SCHEMBL9622845

SCHEMBL9622845

COc1ccc(CN2CCC(SC(c3ccccc3)c3ccccc3)CC2)c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
CHRM2 P08172 2/20 0.52
OPRK1 P41145 2/20 0.52
CYP1A2 P05177 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRD1 P41143 1/20 0.52
APOBEC3A P31941 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
ALDH1A1 P00352 4/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49

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
SCHEMBL7315305 0.77 CHRM2 (0.78) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL11845753 0.76 KDM4E (0.60) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL9623025 0.76 KDM4E (0.49) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL9623023 0.76 KDM4E (0.49) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL28298203 0.75 CHRM2 (0.79) KDM4ECHRM2OPRK1CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL11849193 0.75 KDM4E (0.59) KDM4ECHRM2OPRK1CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL10731346 0.75 CHRM2 (0.74) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL18177883 0.75 MEN1 (0.70) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL11408767 0.74 HTR1A (0.61) KDM4ECHRM2OPRK1CYP1A2SLC6A4
SCHEMBL6162955 0.73 MEN1 (0.59) KDM4ECHRM2OPRK1CYP1A2SLC6A4

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed