SCHEMBL7228236

SCHEMBL7228236

Clc1ccc(OCCCN2CC=CCC2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 1.00
MAOB P27338 2/20 1.00
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL7235850 0.82 MAOA (0.70) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL7235146 0.78 MAOA (0.64) MAOAMAOBMEN1KMT2ALMNA
SCHEMBL7230184 0.77 MAOA (0.62) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL7228612 0.76 MAOA (0.61) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL7238812 0.76 MAOA (0.61) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL24163549 0.75 SMN1; SMN2 (0.73) MAOAMAOBLMNAKDM4ESMN1; SMN2
SCHEMBL7394086 0.75 SMN1; SMN2 (0.73) MAOAMAOBLMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7401914 0.74 SMN1; SMN2 (0.71) MAOAMAOBLMNAKDM4ESMN1; SMN2
SCHEMBL5480294 0.74 HPGD (0.61) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL7228164 0.73 MAOA (0.57) MAOAMAOBALDH1A1MEN1KMT2A

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
US-6649623-B1 Administering tetrahydropiperidine derivative; antidiabetic agents; hyperlipemia treatment; hypotensive agents SHIONOGI & CO., LTD. (JP) 2003-11-18 US disclosed
EP-1151993-A1 CYCLIC AMINE DERIVATIVES AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2001-11-07 EP disclosed