SCHEMBL4737601

SCHEMBL4737601

Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)nc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.59
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
PRSS12 P56730 4/20 0.53
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
CYP2C19 P33261 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MGLL Q99685 1/20 0.49
CYP2C9 P11712 1/20 0.48
HTR2B P41595 1/20 0.48
MAPK14 Q16539 1/20 0.48

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
SCHEMBL4732787 0.90 MEN1 (0.56) FASNKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4784366 0.89 FASN (0.49) FASNKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4731259 0.87 SMN1; SMN2 (0.54) FASNKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4737156 0.86 FASN (0.72) FASNKMT2AMEN1PRSS12
SCHEMBL4732268 0.85 FASN (0.59) FASNKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4732879 0.83 SMN1; SMN2 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL14209232 0.82 MEN1 (0.54) KMT2AMEN1SMN1; SMN2PRSS12LMNA
SCHEMBL4731899 0.82 SMN1; SMN2 (0.47) FASNKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4736239 0.81 FASN (0.74) FASNSMN1; SMN2
SCHEMBL4737584 0.81 FASN (0.74) FASN

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-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO claimed
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed