SCHEMBL5745642

SCHEMBL5745642

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 5/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
PRKAA2 P54646 2/20 0.49
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
GRM5 P41594 1/20 0.45
EPHX2 P34913 1/20 0.45
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
F2RL1 P55085 1/20 0.43
FASN P49327 1/20 0.43
PDE2A O00408 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
SCHEMBL3858189 1.00 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAMEN1PRKAA2
SCHEMBL3861404 0.91 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL3862880 0.89 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL5746938 0.89 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL3858626 0.89 POLB (0.50) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL5745807 0.89 POLB (0.50) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL5747495 0.86 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL3860236 0.86 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL3857139 0.86 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMEN1GRM5
SCHEMBL3857196 0.85 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMEN1GRM5

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