SCHEMBL5745659

SCHEMBL5745659

CCN1CCN(C(=O)NC2CCN(C(=O)c3ccc(C)nc3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
CCNK O75909 4/20 0.46
CDK12 Q9NYV4 4/20 0.46
ALDH1A1 P00352 2/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
AURKA O14965 2/20 0.42
KDM5B Q9UGL1 1/20 0.42
VNN1 O95497 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42

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
SCHEMBL3862507 1.00 HRH3 (0.48) HRH3CCNKCDK12ALDH1A1PRKAB2
SCHEMBL5749702 0.90 PRKAA2 (0.45) HRH3CCNKCDK12ALDH1A1PRKAB2
SCHEMBL3862481 0.90 PRKAA2 (0.45) HRH3CCNKCDK12ALDH1A1PRKAB2
SCHEMBL5746938 0.88 ALDH1A1 (0.53) HRH3CCNKCDK12ALDH1A1KMT2A
SCHEMBL3862880 0.88 ALDH1A1 (0.53) HRH3CCNKCDK12ALDH1A1KMT2A
SCHEMBL3866749 0.88 CCNK (0.42) HRH3CCNKCDK12ALDH1A1PRKAB2
SCHEMBL5746347 0.88 CCNK (0.42) HRH3CCNKCDK12ALDH1A1PRKAB2
SCHEMBL5747117 0.87 PRKAA2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3861326 0.87 PRKAA2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5747495 0.87 ALDH1A1 (0.47) HRH3CCNKCDK12ALDH1A1KMT2A

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 claimed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO claimed