SCHEMBL4739792

SCHEMBL4739792

O=C(c1ccco1)N(Cc1ccc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
OPRM1 P35372 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4735594 0.91 OPRM1 (0.48) LMNAALDH1A1TSHRKDM4EOPRM1
SCHEMBL4738710 0.91 LMNA (0.49) LMNAALDH1A1TSHRKDM4EOPRM1
SCHEMBL4734088 0.91 LMNA (0.53) LMNAALDH1A1TSHRKDM4EOPRM1
SCHEMBL4735586 0.90 LMNA (0.53) LMNAALDH1A1TSHRKDM4EOPRM1
SCHEMBL4735444 0.90 LMNA (0.52) LMNAALDH1A1TSHRKDM4EOPRM1
SCHEMBL4738686 0.89 OPRM1 (0.55) LMNAALDH1A1TSHRKDM4EOPRM1
SCHEMBL4737984 0.89 ALDH1A1 (0.53) LMNAALDH1A1TSHRKDM4ETP53
SCHEMBL4740309 0.89 LMNA (0.46) LMNAALDH1A1TSHRKDM4EOPRM1
SCHEMBL4736215 0.85 LMNA (0.48) LMNAALDH1A1TSHRKDM4EOPRM1
SCHEMBL4785360 0.85 LMNA (0.46) LMNAALDH1A1TSHRKDM4EOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed