SCHEMBL7962391

SCHEMBL7962391

O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.81
SLC6A7 Q99884 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.63
AKR1C3 P42330 1/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NAMPT P43490 1/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.60
USP2 O75604 2/20 0.60
HPGD P15428 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP3A4 P08684 2/20 0.59
GAA P10253 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL21987079 0.97 POLB (0.81) POLBSLC6A7SMN1; SMN2AKR1C3CYP2C9
SCHEMBL22394625 0.91 SLC6A7 (0.70) POLBSLC6A7CYP2C9CYP2C19MEN1
SCHEMBL7961639 0.90 SMN1; SMN2 (0.70) POLBSLC6A7SMN1; SMN2AKR1C3CYP2C9
SCHEMBL3573771 0.89 SLC6A7 (0.81) POLBSLC6A7SMN1; SMN2AKR1C3CYP2C9
SCHEMBL4378294 0.85 SMN1; SMN2 (0.59) POLBSLC6A7SMN1; SMN2AKR1C3CYP2C9
SCHEMBL21987021 0.85 ALDH1A1 (0.64) POLBSMN1; SMN2AKR1C3MEN1KMT2A
SCHEMBL3640637 0.85 GRM5 (0.63) POLBSLC6A7SMN1; SMN2AKR1C3CYP2C9
SCHEMBL8595777 0.83 POLB (0.87) POLBSLC6A7MEN1KMT2AALDH1A1
SCHEMBL10721777 0.83 MEN1 (0.87) POLBSLC6A7MEN1KMT2AALDH1A1
SCHEMBL7956657 0.82 SMN1; SMN2 (0.67) POLBSLC6A7SMN1; SMN2AKR1C3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed