SCHEMBL2773371

SCHEMBL2773371

Cc1ccc(C(=O)O)cc1CCN(C)c1ccc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)cc1C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.58
MRGPRX4 Q96LA9 2/20 0.38
NPC1 O15118 1/20 0.35
NR4A2 P43354 1/20 0.35
RAB9A P51151 1/20 0.35
LIFR P42702 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL2770887 0.94 NR1H4 (0.56) NR1H4MRGPRX4KDM4C
SCHEMBL2772217 0.91 NR1H4 (0.57) NR1H4MRGPRX4LIFR
SCHEMBL2773887 0.90 NR1H4 (0.61) NR1H4MRGPRX4LIFR
SCHEMBL2773436 0.90 NR1H4 (0.55) NR1H4MRGPRX4NPC1NR4A2RAB9A
SCHEMBL2771708 0.89 NR1H4 (0.54) NR1H4MRGPRX4
SCHEMBL2772748 0.89 NR1H4 (0.54) NR1H4MRGPRX4NR4A2KDM4C
SCHEMBL4035936 0.89 NR1H4 (0.53) NR1H4MRGPRX4
SCHEMBL2771437 0.88 NR1H4 (0.58) NR1H4MRGPRX4
SCHEMBL2771137 0.88 NR1H4 (0.52) NR1H4MRGPRX4KDM4C
SCHEMBL2773716 0.87 NR1H4 (0.52) NR1H4MRGPRX4

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
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed