SCHEMBL5191885

SCHEMBL5191885

CCCNC(=O)N1CCNC(CC(=O)NC2CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 3/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL5190984 0.74 ALDH1A1 (0.41) LMNAALDH1A1KDM4EKMT2ACYP2C19
SCHEMBL5278574 0.72 LMNA (0.48) LMNAEPHX2
SCHEMBL5194080 0.72 ALDH1A1 (0.46) LMNAALDH1A1KDM4EKMT2ANPSR1
SCHEMBL5191853 0.68 POLB (0.52) LMNAALDH1A1KDM4ECYP2C19SMN1; SMN2
SCHEMBL10818831 0.67 KMT2A (0.55) LMNAKMT2ACYP2C19NPSR1MEN1
SCHEMBL5544760 0.67 CA1 (0.60) LMNAALDH1A1EPHX1KDM4EKMT2A
SCHEMBL17560403 0.67 HTT (0.44) LMNAALDH1A1EPHX1KDM4EKMT2A
SCHEMBL20034965 0.67 LMNA (0.57) LMNAALDH1A1KMT2ACYP2C19NPSR1
SCHEMBL23178175 0.66 KDM4E (0.47) LMNAALDH1A1EPHX1KDM4EKMT2A
SCHEMBL16420399 0.64 CYP2C19 (0.51) LMNAALDH1A1EPHX1KDM4EKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed