SCHEMBL8669414

SCHEMBL8669414

NCC(=O)N1C(C(=O)O)CC(C(=O)N2CCCC2)C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.43
▸ ACE P12821 1/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ PREP P48147 7/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.40

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
SCHEMBL8667711 0.87 ACE (0.41) SIGMAR1ACEHRH3
SCHEMBL8666332 0.86 ACE (0.54) ACE
SCHEMBL8671884 0.79 ACE (0.46) SIGMAR1ACE
SCHEMBL8667007 0.78 POLB (0.44) ACE
SCHEMBL8672121 0.78 SIGMAR1 (0.45) SIGMAR1ACEPREPHRH3
SCHEMBL8668716 0.77 FKBP1A (0.39) —
SCHEMBL8668286 0.74 ITGB1 (0.44) ACE
SCHEMBL8668940 0.71 ACE (0.41) ACE
SCHEMBL3656053 0.71 SIGMAR1 (0.66) SIGMAR1PREPHRH3
SCHEMBL10123280 0.70 SIGMAR1 (0.76) SIGMAR1PREPHRH3

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
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 — — US disclosed
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