SCHEMBL5746347

SCHEMBL5746347

CCOCCN1CCN(C(=O)NC2CCN(C(=O)c3ccc(C)nc3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNK O75909 5/20 0.42
CDK12 Q9NYV4 5/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PIK3CD O00329 2/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.39
USP30 Q70CQ3 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL3866749 1.00 CCNK (0.42) CCNKCDK12LMNAALDH1A1HRH2
SCHEMBL5745659 0.88 HRH3 (0.48) CCNKCDK12LMNAALDH1A1PRKAB2
SCHEMBL3862507 0.88 HRH3 (0.48) CCNKCDK12LMNAALDH1A1PRKAB2
SCHEMBL3862481 0.84 PRKAA2 (0.45) CCNKCDK12LMNAALDH1A1PRKAB2
SCHEMBL5749702 0.84 PRKAA2 (0.45) CCNKCDK12LMNAALDH1A1PRKAB2
SCHEMBL5750443 0.82 LMNA (0.42) CCNKCDK12LMNAALDH1A1PIK3CD
SCHEMBL3856209 0.82 LMNA (0.42) CCNKCDK12LMNAALDH1A1PIK3CD
SCHEMBL3862880 0.82 ALDH1A1 (0.53) CCNKCDK12LMNAALDH1A1KMT2A
SCHEMBL5746938 0.82 ALDH1A1 (0.53) CCNKCDK12LMNAALDH1A1KMT2A
SCHEMBL5747117 0.81 PRKAA2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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