SCHEMBL4695544

SCHEMBL4695544

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CC[N]CC3)C2)cn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CCNK O75909 3/20 0.46
CDK12 Q9NYV4 3/20 0.46
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
GRM5 P41594 2/20 0.43
PDE2A O00408 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM5B Q9UGL1 1/20 0.42
VNN1 O95497 2/20 0.42
KDM5A P29375 1/20 0.41

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
SCHEMBL3862880 0.91 ALDH1A1 (0.53) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL5746938 0.91 ALDH1A1 (0.53) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL5747495 0.90 ALDH1A1 (0.47) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL3860236 0.90 ALDH1A1 (0.47) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL3861404 0.90 ALDH1A1 (0.55) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL3857196 0.87 ALDH1A1 (0.50) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL3862507 0.86 HRH3 (0.48) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL5745659 0.86 HRH3 (0.48) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL5909080 0.86 VNN1 (0.53) ALDH1A1CCNKCDK12KMT2ALMNA
SCHEMBL5909284 0.86 VNN1 (0.53) ALDH1A1CCNKCDK12KMT2ALMNA

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-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP claimed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed