SCHEMBL10346385

SCHEMBL10346385

COc1ccc(CN2CCN(CCC3(C)CCc4c(C)c(OC)c(C)c(C)c4O3)CC2)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
OPRK1 P41145 2/20 0.45
CYP1A2 P05177 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRD1 P41143 1/20 0.45
APOBEC3A P31941 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 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
SCHEMBL10346941 0.84 CYP2C19 (0.53) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL10346356 0.84 SMN1; SMN2 (0.45) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL10346637 0.82 KMT2A (0.41) MEN1KMT2ALMNATP53CYP2C19
SCHEMBL10346640 0.80 CYP2C19 (0.50) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL10346384 0.80 KMT2A (0.42) MEN1KMT2ALMNATP53CYP2C19
SCHEMBL9622243 0.79 CYP4F2 (0.40) MEN1KMT2ALMNATP53CYP2C19
SCHEMBL10346408 0.79 KMT2A (0.43) MEN1KMT2ALMNATP53CYP2C19
SCHEMBL10346397 0.79 MEN1 (0.50) MEN1KMT2ALMNACYP2C19
SCHEMBL10346622 0.78 MEN1 (0.40) MEN1KMT2ALMNATP53CYP2C19
SCHEMBL9563644 0.78 CPT1B (0.47) CHRM2OPRK1CYP1A2SLC6A4OPRD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728650-A ANTIULCER, ANTITUSSIVE, EXPECTORANTS KURARAY CO., LTD. (JP) 1988-03-01 US claimed
EP-0202580-B1 3,4-DIHYDROBENZOPYRAN DERIVATIVES KURARAY CO., LTD. (JP) 1990-03-28 EP disclosed
US-4728650-A ANTIULCER, ANTITUSSIVE, EXPECTORANTS KURARAY CO., LTD. (JP) 1988-03-01 US disclosed
EP-0202580-A2 3,4-Dihydrobenzopyran derivatives KURARAY CO., LTD. (JP) 1986-11-26 EP disclosed