SCHEMBL8974885

SCHEMBL8974885

CC(NCCCCc1ccccc1)C(O)c1ccc2c(c1)CCCCS2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 4/20 0.40
▸ ADRB2 P07550 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ SLC6A2 P23975 3/20 0.40
▸ OPRM1 P35372 3/20 0.40
▸ ADRA1A P35348 3/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ SIGMAR1 Q99720 7/20 0.40
▸ ADRB3 P13945 3/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SLC2A1 P11166 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37

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
SCHEMBL8974546 0.97 SIGMAR1 (0.40) ADRB1ADRB2LMNAHIF1ASLC6A2
Tibalosin SCHEMBL8974326 0.93 SIGMAR1 (0.41) ADRB1ADRB2LMNAHIF1ASLC6A2
Tibalosin SCHEMBL1254588 0.92 SIGMAR1 (0.41) ADRB1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974881 0.85 LMNA (0.41) ADRB1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974286 0.84 SIGMAR1 (0.45) ADRB1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974621 0.82 LMNA (0.50) ADRB1ADRB2LMNAHIF1ASLC6A2
SCHEMBL10776744 0.81 GRIN2B (0.39) ADRB1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974429 0.79 SLC2A1 (0.40) ADRB1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974994 0.79 SIGMAR1 (0.40) ADRB1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974380 0.78 LMNA (0.52) ADRB1ADRB2LMNAHIF1ASLC6A2

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 8 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
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
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