SCHEMBL5749702

SCHEMBL5749702

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.45
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
CCNK O75909 4/20 0.44
CDK12 Q9NYV4 4/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
VNN1 O95497 1/20 0.41
PDE2A O00408 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL3862481 1.00 PRKAA2 (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3862507 0.90 HRH3 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5745659 0.90 HRH3 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3865263 0.89 ALDH1A1 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5748611 0.89 ALDH1A1 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5747117 0.87 PRKAA2 (0.61) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3861326 0.87 PRKAA2 (0.61) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5746938 0.86 ALDH1A1 (0.53) CCNKCDK12LMNAALDH1A1KMT2A
SCHEMBL3862880 0.86 ALDH1A1 (0.53) CCNKCDK12LMNAALDH1A1KMT2A
SCHEMBL5747495 0.85 ALDH1A1 (0.47) CCNKCDK12LMNAALDH1A1KMT2A

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
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