SCHEMBL27508486

SCHEMBL27508486

CN1CCC(C(=O)c2cccc(NC(=S)Nc3ccccc3CN)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
RORC P51449 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
CCR3 P51677 4/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 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
SCHEMBL27472661 0.86 HTR1F (0.58) HTR1FKMT2AALDH1A1MEN1PKM
SCHEMBL5211088 0.86 HTR1F (0.58) HTR1FSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL5209076 0.86 HTR1F (0.58) HTR1FGAAKMT2AALDH1A1MEN1
SCHEMBL5210102 0.86 HTR1F (0.58) HTR1FGAAKMT2AALDH1A1MEN1
SCHEMBL27457322 0.86 HTR1F (0.58) HTR1FGAAKMT2AALDH1A1MEN1
SCHEMBL5212244 0.86 HTR1F (0.58) HTR1FGAAKMT2AALDH1A1MEN1
SCHEMBL5209513 0.85 HTR1F (0.65) HTR1FSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL5212194 0.85 HTR1F (0.57) HTR1FGAAKMT2AALDH1A1MEN1
SCHEMBL5209959 0.85 HTR1F (0.62) HTR1FSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL27472240 0.82 HTR1F (0.61) HTR1FGAAKMT2AALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1149195-C 5-HTIF agonists 2004-05-12 CN disclosed
CN-1340045-A 5-HTIF agonists LILLY CO ELI (US) 2002-03-13 CN disclosed