SCHEMBL5326201

SCHEMBL5326201

COC(=O)Nc1ccc(C)c(C2CCNCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.45
PLAT P00750 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39

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
SCHEMBL5325602 0.85 NMT2 (0.43) NMT2NMT1
SCHEMBL6223816 0.83 HTR1F (0.49) HTR2CALDH1A1NMT2NMT1
SCHEMBL4617058 0.83 DRD2 (0.50) HTR2CKMT2AALDH1A1
SCHEMBL4615264 0.82 NPC1 (0.50) SMN1; SMN2ALDH1A1TP53
SCHEMBL13646074 0.78 HTR2C (0.47) HTR2CPLATMEN1KMT2ACHRNB2
SCHEMBL5324244 0.77 HTR2C (0.55) HTR2CALDH1A1
SCHEMBL31406453 0.76 CA12 (0.55) MEN1KMT2A
SCHEMBL16292956 0.75 HTR2C (0.51) HTR2C
SCHEMBL1440072 0.74 CA12 (0.46)
SCHEMBL30242035 0.74 CA12 (0.46)

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
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO disclosed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed