SCHEMBL6170108

SCHEMBL6170108

CNC(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
FFAR1 O14842 4/20 0.47
POLB P06746 2/20 0.46
CYP2A6 P11509 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CNR1 P21554 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL14387746 0.85 HDAC1 (0.53) HDAC1HDAC6FFAR1POLBALDH1A1
SCHEMBL7873806 0.82 LOXL2 (0.55) LOXL2SAE1UBA2CYP2A6HTT
SCHEMBL2578755 0.82 HDAC1 (0.48) LOXL2SAE1UBA2HDAC1HDAC6
SCHEMBL17546408 0.81 FFAR1 (0.51) FFAR1SMN1; SMN2GAAMAPTCNR1
SCHEMBL1507376 0.80 ALDH1A1 (0.57) LOXL2SAE1UBA2FFAR1CYP2A6
SCHEMBL5315403 0.80 HDAC1 (0.46) LOXL2SAE1UBA2HDAC1HDAC6
SCHEMBL2582603 0.80 EPHX2 (0.47) LOXL2SAE1UBA2HDAC1HDAC6
SCHEMBL7338789 0.80 FFAR1 (0.53) LOXL2SAE1UBA2FFAR1CYP2A6
SCHEMBL1338556 0.79 CYP11B1 (0.60) LOXL2SAE1UBA2FFAR1POLB
SCHEMBL6361557 0.79 FFAR1 (0.47) SAE1UBA2HDAC1HDAC6FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 EP claimed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 WO claimed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 WO disclosed