SCHEMBL4603720

SCHEMBL4603720

Nc1ccc(OC2CCN(C(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
HRH1 P35367 2/20 0.55
CCR3 P51677 2/20 0.55
GAA P10253 1/20 0.55
MGLL Q99685 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2B P41595 1/20 0.53
MAPK14 Q16539 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51
HSD11B1 P28845 1/20 0.51
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KCNA5 P22460 1/20 0.47
SRD5A1 P18405 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2951323 0.86 NPC1 (0.52) HRH1CCR3MGLLEPHX2ALDH1A1
SCHEMBL4603638 0.83 PDE4B (0.52) RAB9AHRH1CCR3GAAMGLL
SCHEMBL5318563 0.81 EPHX2 (0.52) HRH1CCR3GAAHSD11B1EPHX2
SCHEMBL1808176 0.80 HRH1 (0.53) RAB9AHRH1CCR3MGLLEPHX2
SCHEMBL1809962 0.80 MGLL (0.64) HRH1CCR3MGLLEPHX2SRD5A1
SCHEMBL12188726 0.79 MGLL (0.67) MGLLALDH1A1KMT2A
SCHEMBL23775392 0.78 RAB9A (0.72) RAB9AGAAMGLLTDP1CYP2C9
SCHEMBL24590609 0.77 RAB9A (0.55) RAB9AHRH1CCR3GAAMGLL
SCHEMBL1809256 0.77 MGLL (0.68) HRH1CCR3GAAMGLLCYP2C9
SCHEMBL4603682 0.76 LMNA (0.55) KDM4EKMT2A

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-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed
EP-1609789-A1 UREIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed