SCHEMBL8975543

SCHEMBL8975543

CCCCOC#CCOCCC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL8975929 0.87 TSHR (0.33) TSHRADRB2ADRB1ADRB3
SCHEMBL8053751 0.85 HTT (0.42) TSHR
SCHEMBL2984055 0.77
SCHEMBL20658174 0.76 TSHR (0.48) TSHRADRB2ADRB1ADRB3
SCHEMBL2919593 0.75 ADRB2 (0.45) TSHRADRB2ADRB1ADRB3
SCHEMBL2990615 0.75 ADRB2 (0.36) TSHRADRB2ADRB1ADRB3
SCHEMBL10972886 0.71 PTPN7 (0.41) TSHRADRB2ADRB1ADRB3
SCHEMBL20658210 0.71 ADRB2 (0.41) TSHRADRB2ADRB1ADRB3
SCHEMBL5167361 0.70 TSHR (0.36) TSHRADRB2ADRB1ADRB3
SCHEMBL5167368 0.70 TSHR (0.36) TSHRADRB2ADRB1ADRB3

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
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