SCHEMBL8974621

SCHEMBL8974621

CCCCCCCCNC(C)C(O)c1ccc2c(c1)CCCS2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ OPRM1 P35372 4/20 0.50
▸ SLC6A2 P23975 3/20 0.50
▸ SLC6A4 P31645 3/20 0.50
▸ HIF1A Q16665 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ ADRB3 P13945 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ ESR1 P03372 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
SCHEMBL8974380 0.93 LMNA (0.52) LMNAOPRM1SLC6A2SLC6A4HIF1A
SCHEMBL8974546 0.85 SIGMAR1 (0.40) LMNAOPRM1SLC6A2SLC6A4HIF1A
SCHEMBL8974885 0.82 ADRB1 (0.40) LMNAOPRM1SLC6A2SLC6A4HIF1A
SCHEMBL10780155 0.81 LMNA (0.44) LMNAOPRM1SLC6A2SLC6A4HIF1A
SCHEMBL8974429 0.79 SLC2A1 (0.40) LMNAOPRM1SLC6A2SLC6A4HIF1A
SCHEMBL25569613 0.78 LMNA (0.34) LMNAOPRM1SLC6A2SLC6A4HIF1A
Tibalosin SCHEMBL8974326 0.78 SIGMAR1 (0.41) LMNAOPRM1SLC6A2SLC6A4HIF1A
Tibalosin SCHEMBL1254588 0.78 SIGMAR1 (0.41) LMNAOPRM1SLC6A2SLC6A4HIF1A
SCHEMBL8974881 0.77 LMNA (0.41) LMNAOPRM1SLC6A2SLC6A4HIF1A
SCHEMBL8974717 0.75 ALDH1A1 (0.52) LMNAOPRM1SLC6A2SLC6A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 — — EP claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 — — EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 — — WO claimed
US-4638070-A HYPOTENSIVE CONTINENTAL PHARMA (BE) 1987-01-20 — — US claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 — — EP disclosed
US-5462965-A Use of heterocyclic amino-alcohol compounds for treatment of CNS diseases GD SEARLE & CO. (US) 1995-10-31 — — US disclosed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 — — EP disclosed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 — — WO disclosed
US-4638070-A HYPOTENSIVE CONTINENTAL PHARMA (BE) 1987-01-20 — — US disclosed
Send feedback