SCHEMBL9753142

SCHEMBL9753142

COC(=O)C1CCCC(N)(c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL9753437 0.82 HTT (0.46) HTTALOX15ALDH1A1
SCHEMBL9752823 0.77 MAOA (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30249996 0.75 ALDH1A1 (0.46) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14379102 0.72 OPRM1 (0.51) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30207602 0.72
SCHEMBL16993537 0.71 HTT (0.49) HTTALOX15ALDH1A1
SCHEMBL17459837 0.70 HTT (0.47) HTTNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL25980736 0.69 KDM1A (0.39) HTTSMN1; SMN2ALDH1A1
SCHEMBL9977722 0.69 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL9977775 0.69 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1

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
WO-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed