SCHEMBL8989176

SCHEMBL8989176

COc1ccc(CN2CCN(Cc3cc(-c4ccc(C)cc4)ccc3C)CC2)c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.55
OPRK1 P41145 2/20 0.55
CYP1A2 P05177 1/20 0.55
SLC6A4 P31645 1/20 0.55
OPRD1 P41143 1/20 0.55
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
APOBEC3A P31941 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
ALDH1A1 P00352 5/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 2/20 0.53
LMNA P02545 3/20 0.52
CYP2C19 P33261 1/20 0.52
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 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
Hydrochloric Acid SCHEMBL7333899 0.99 APOBEC3A (0.56) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL7334983 0.92 MEN1 (0.60) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL8989118 0.91 ALDH1A1 (0.63) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL7326029 0.91 MEN1 (0.58) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL7328249 0.90 APOBEC3A (0.57) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL7328045 0.90 LMNA (0.64) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL7336379 0.87 APOBEC3A (0.51) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL7356889 0.85 APOBEC3A (0.52) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL7336794 0.85 MEN1 (0.63) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL7335009 0.84 MEN1 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US claimed
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US disclosed