SCHEMBL5745807

SCHEMBL5745807

Cc1ccc(C(=O)N2CCC(NC(=O)N3CCN(C4CCCCC4)CC3)C2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 2/20 0.45
GRM5 P41594 1/20 0.44
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL3858626 1.00 POLB (0.50) POLBHSD17B10HRH3ALDH1A1L3MBTL3
SCHEMBL3861404 0.90 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AGRM5
SCHEMBL5745642 0.89 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AGRM5
SCHEMBL3858189 0.89 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AGRM5
SCHEMBL3862880 0.88 ALDH1A1 (0.53) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL5746938 0.88 ALDH1A1 (0.53) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL5747495 0.85 ALDH1A1 (0.47) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL3860236 0.85 ALDH1A1 (0.47) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL3857139 0.85 ALDH1A1 (0.48) POLBHRH3ALDH1A1LMNAMEN1
SCHEMBL4695544 0.84 ALDH1A1 (0.47) HRH3ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP claimed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO claimed
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP disclosed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO disclosed