SCHEMBL8477806

SCHEMBL8477806

CCCN(CC)CCOc1ccc(C(=O)N(C)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.57
▸ EBP Q15125 3/20 0.52
▸ SIGMAR1 Q99720 3/20 0.52
▸ BCHE P06276 3/20 0.52
▸ ACHE P22303 3/20 0.52
▸ DRD2 P14416 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ SCN1A P35498 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.48
▸ ESR1 P03372 3/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ KCNH2 Q12809 2/20 0.45
▸ CHRM2 P08172 2/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45

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
SCHEMBL13221522 0.84 TSHR (0.55) —
SCHEMBL1984870 0.83 DRD2 (0.56) EBPSIGMAR1BCHEACHEDRD2
SCHEMBL15537810 0.83 THRA (0.59) BCHEACHELMNASCN1ASCN2A
SCHEMBL6539277 0.82 TP53 (0.60) —
SCHEMBL13683745 0.75 MCHR1 (0.93) MCHR1EBPSIGMAR1BCHEACHE
SCHEMBL4473605 0.75 MAPT (0.70) MCHR1EBPSIGMAR1BCHEACHE
SCHEMBL30969207 0.75 PARP10 (0.60) EBPSIGMAR1BCHEACHELMNA
SCHEMBL3149568 0.74 EBP (0.69) MCHR1EBPSIGMAR1BCHEACHE
SCHEMBL250102 0.74 EBP (0.69) MCHR1EBPSIGMAR1BCHEACHE
SCHEMBL30969305 0.74 EBP (0.56) MCHR1EBPSIGMAR1BCHEACHE

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-0997465-B1 Azaindole derivatives and their use as antithrombotic agents LILLY CO ELI (US) 2004-02-04 — — EP disclosed
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